Geometry & MOs

Info

ID:	322645
PubChem CID:	126670716
Reduced:	N3C14H16 (2)
Stoich.:	A3B14C16 (2)
Weight, g/mol:	508.331445
ΔH_f, kcal/mol:	174.93
Dipole, Da:	5.68
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N'-[(5Z,7Z)-10-(3-tert-butylphenyl)-1-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]deca-5,7-dien-1,3-diyn-5-yl]pyrrolidine-2-carboximidamide

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

C1C[C@H](NC1)C2=NC=C(N2)C#CC#C/C(=C/C=C\CCC3=CC=CC=C3)/N=C([C@@H]4CCCN4)N

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

C1C[C@H](NC1)C2=NC=C(N2)C#CC#C/C(=C/C=C\CCC3=CC=CC=C3)/N=C([C@@H]4CCCN4)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):