Geometry & MOs

Info

ID:	240196
PubChem CID:	93576623
Reduced:	ClO2N3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	0.97
Dipole, Da:	2.62
IP(EA), eV:	-9.09(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations