Geometry & MOs

Info

ID:	392174
PubChem CID:	135013542
Reduced:	ClN3O3H14C19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	27.17
Dipole, Da:	5.7
IP(EA), eV:	-8.82(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-amino-5-methyl-3-nitroanilino)phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC3=C(C=C(C=C3)[N+](=O)[O-])N

DOS

IR

Vibrations