Geometry & MOs

Info

ID:	10540
PubChem CID:	104004
Reduced:	BrN6O6C21H23 (1)
Stoich.:	AB6C6D21E23 (1)
Weight, g/mol:	534.08625
ΔH_f, kcal/mol:	-46.45
Dipole, Da:	13.3
IP(EA), eV:	-8.4(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(cyclohexylamino)-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)NC3CCCCC3

DOS

IR

Vibrations