Geometry & MOs

Info

ID:	11611
PubChem CID:	118211
Reduced:	BrN6O8C19H21 (1)
Stoich.:	AB6C8D19E21 (1)
Weight, g/mol:	540.06042
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	7.42
IP(EA), eV:	-8.41(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-methoxypropyl)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)NCC(COC)O

DOS

IR

Vibrations