Geometry & MOs

Info

ID:	11011
PubChem CID:	109793
Reduced:	BrO3N5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	445.07495
ΔH_f, kcal/mol:	40.7
Dipole, Da:	7.91
IP(EA), eV:	-8.54(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-bromo-6-methyl-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N=NC2=C(C=C(C=C2)N(CCC#N)CCO)C)Br)[N+](=O)[O-]

DOS

IR

Vibrations