Geometry & MOs

Info

ID:	438311
PubChem CID:	135228044
Reduced:	N3C11H17 (1)
Stoich.:	A3B11C17 (1)
Weight, g/mol:	481.320546
ΔH_f, kcal/mol:	60.25
Dipole, Da:	2.32
IP(EA), eV:	-7.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E,4Z)-2-butan-2-yl-5-methyl-1-phenylhepta-2,4,6-trienyl]-5-(3,5-dimethyltriazol-4-yl)-2,2-dimethyl-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C)C=C1)C=NC

DOS

IR

Vibrations