Geometry & MOs

Info

ID:	438151
PubChem CID:	135227779
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	412.201159
ΔH_f, kcal/mol:	36.86
Dipole, Da:	1.2
IP(EA), eV:	-8.21(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1C=CC(=NN1C=NC)C(C)(C)C

DOS

IR

Vibrations