Geometry & MOs

Info

ID:	257291
PubChem CID:	103144957
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	34.68
Dipole, Da:	7.24
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[(2-methylphenyl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)CNC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations