Geometry & MOs

Info

ID:	298574
PubChem CID:	117651241
Reduced:	ClN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	292.06147
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	8.24
IP(EA), eV:	-8.93(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4-methoxyphenyl)-5-methyl-2-nitroaniline

Drug info:

PubChemData

Smile

COCCCCC1=CC=C(C=C1)NC2=C(C(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations