Geometry & MOs

Info

ID:	240198
PubChem CID:	93576625
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	433.095997
ΔH_f, kcal/mol:	-65.41
Dipole, Da:	7.71
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-[[(2S)-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