Geometry & MOs

Info

ID:	410448
PubChem CID:	135083245
Reduced:	ClN2C18H22 (2)
Stoich.:	AB2C18D22 (2)
Weight, g/mol:	532.356597
ΔH_f, kcal/mol:	81.53
Dipole, Da:	33.11
IP(EA), eV:	-6.19(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-(2,4,6-trimethylphenyl)-3-[[2,4,6-trimethyl-3-[1-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethyl]phenyl]methyl]imidazol-3-ium

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)CC3=C(C(=C(C=C3C)C)C(C)[N+]4=CN(C=C4)C5=C(C=C(C=C5C)C)C)C)C.[Cl-].[Cl-]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)CC3=C(C(=C(C=C3C)C)C(C)[N+]4=CN(C=C4)C5=C(C=C(C=C5C)C)C)C)C.[Cl-].[Cl-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):