Geometry & MOs

Info

ID:	56051
PubChem CID:	17404042
Reduced:	ClNO2H5C7 (2)
Stoich.:	ABC2D5E7 (2)
Weight, g/mol:	362.111401
ΔH_f, kcal/mol:	-62.43
Dipole, Da:	8.19
IP(EA), eV:	-10.1(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-hydroxy-5-nitrophenyl)methyl]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations