Geometry & MOs

Info

ID:	240255
PubChem CID:	93576725
Reduced:	ON3C29H33 (1)
Stoich.:	AB3C29D33 (1)
Weight, g/mol:	455.220892
ΔH_f, kcal/mol:	4.86
Dipole, Da:	1.43
IP(EA), eV:	-8.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2[C@H](C)C4=CC=C(C=C4)CC(C)C)C

DOS

IR

Vibrations