Geometry & MOs

Info

ID:	240197
PubChem CID:	93576624
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	4.03
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)CN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations