Geometry & MOs

Info

ID:	56529
PubChem CID:	17436123
Reduced:	SN2O2H20C22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	4.96
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-(3-methylphenyl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1CC2=C(CC1C3=CC=CC=C3)SC=C2C(=O)NC4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations