Geometry & MOs

Info

ID:	257292
PubChem CID:	103144964
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	11.37
Dipole, Da:	9.38
IP(EA), eV:	-8.76(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[1-(1-methylcyclopropyl)ethyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations