Geometry & MOs

Info

ID:	35339
PubChem CID:	7979720
Reduced:	Cl2N3O4H9C13 (1)
Stoich.:	A2B3C4D9E13 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	6.47
IP(EA), eV:	-9.26(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(2-hydroxy-4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Cl)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations