Geometry & MOs

Info

ID:	442229
PubChem CID:	135250688
Reduced:	ON2C12H12 (3)
Stoich.:	AB2C12D12 (3)
Weight, g/mol:	909.520643
ΔH_f, kcal/mol:	21.14
Dipole, Da:	1.8
IP(EA), eV:	-9.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridin-3-yl]phenyl]-2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine

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(CN=C(O1)C2=NC=C(C=C2)C3=CC(=CC(=C3)C4=CN=C(C=C4)C5=NCC(O5)(C)C)C6=CN=C(C=C6)C7=NCC(O7)(C)C)C

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(CN=C(O1)C2=NC=C(C=C2)C3=CC(=CC(=C3)C4=CN=C(C=C4)C5=NCC(O5)(C)C)C6=CN=C(C=C6)C7=NCC(O7)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):