Geometry & MOs

Info

ID:	72085
PubChem CID:	48415796
Reduced:	OSN3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	51.87
Dipole, Da:	5.25
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-7-chloro-N,3-dimethyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=CS3)C4=CC=CC=C4

DOS

IR

Vibrations