Geometry & MOs

Info

ID:	257297
PubChem CID:	103145022
Reduced:	BrN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	348.04734
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	7.62
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-bromophenyl)ethyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=CC=C(O2)Br

DOS

IR

Vibrations