Geometry & MOs

Info

ID:	8529
PubChem CID:	78916
Reduced:	Cl2O4N5H17C19 (1)
Stoich.:	A2B4C5D17E19 (1)
Weight, g/mol:	449.065759
ΔH_f, kcal/mol:	8.75
Dipole, Da:	7.57
IP(EA), eV:	-8.98(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations