Geometry & MOs

Info

ID:	10671
PubChem CID:	106484
Reduced:	BrO6N7H18C19 (1)
Stoich.:	AB6C7D18E19 (1)
Weight, g/mol:	519.05019
ΔH_f, kcal/mol:	26.67
Dipole, Da:	6.85
IP(EA), eV:	-8.46(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[2-cyanoethyl(methyl)amino]-4-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(C)CCC#N

DOS

IR

Vibrations