Geometry & MOs

Info

ID:	124336
PubChem CID:	50879483
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	232.053404
ΔH_f, kcal/mol:	-33.72
Dipole, Da:	4.32
IP(EA), eV:	-8.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-2-N,2-N-diethylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1CCCCN1C2=C(C=C(C=C2Br)OC)[N+](=O)[O-]

DOS

IR

Vibrations