Geometry & MOs

Info

ID:	257298
PubChem CID:	103145024
Reduced:	BrN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	292.215078
ΔH_f, kcal/mol:	15.11
Dipole, Da:	8.54
IP(EA), eV:	-8.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-nitro-N-nonan-2-ylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(C)C2=CC(=CC=C2)Br

DOS

IR

Vibrations