Geometry & MOs

Info

ID:	257319
PubChem CID:	103145192
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-76.7
Dipole, Da:	9.21
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=C(C(=C1)C)[N+](=O)[O-])C)CO

DOS

IR

Vibrations