Geometry & MOs

Info

ID:	10874
PubChem CID:	108636
Reduced:	O3N6H16C18 (1)
Stoich.:	A3B6C16D18 (1)
Weight, g/mol:	364.128388
ΔH_f, kcal/mol:	103.41
Dipole, Da:	7.99
IP(EA), eV:	-9.11(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N(CCC#N)CCO

DOS

IR

Vibrations