Geometry & MOs

Info

ID:	257315
PubChem CID:	103145136
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-32.57
Dipole, Da:	9.46
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[(4-methylpyridin-3-yl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC2CCCC2(C)C

DOS

IR

Vibrations