Geometry & MOs

Info

ID:	438255
PubChem CID:	135227983
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	408.206245
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	10.02
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-1-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]benzimidazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)N(C=N3)C(C4CCOCC4)C5=CC=CC=C5)C(=O)N

DOS

IR

Vibrations