Geometry & MOs

Info

ID:	240310
PubChem CID:	93576898
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-102.8
Dipole, Da:	4.34
IP(EA), eV:	-8.19(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)NC[C@@H]4CCCO4)OC

DOS

IR

Vibrations