Geometry & MOs

Info

ID:	56600
PubChem CID:	17487155
Reduced:	ClO3N5H10C15 (1)
Stoich.:	AB3C5D10E15 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	61.36
Dipole, Da:	6.31
IP(EA), eV:	-9.41(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2-methoxyanilino)pyridine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations