Geometry & MOs

Info

ID:	269042
PubChem CID:	103607711
Reduced:	ClNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	286.062139
ΔH_f, kcal/mol:	-137.43
Dipole, Da:	4.55
IP(EA), eV:	-9.47(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-2-chloropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)COCCCNC(=O)C1=CC(=C(C=C1)O)Cl

DOS

IR

Vibrations