Geometry & MOs

Info

ID:	71890
PubChem CID:	48415580
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	373.160183
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	9.63
IP(EA), eV:	-8.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations