Geometry & MOs

Info

ID:	72143
PubChem CID:	48415857
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	328.109089
ΔH_f, kcal/mol:	-91.13
Dipole, Da:	3.16
IP(EA), eV:	-8.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloro-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations