Geometry & MOs

Info

ID:	11677
PubChem CID:	118862
Reduced:	Cl2O2N5C25H29 (1)
Stoich.:	A2B2C5D25E29 (1)
Weight, g/mol:	501.169831
ΔH_f, kcal/mol:	89.72
Dipole, Da:	9.39
IP(EA), eV:	-8.74(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CCN(CC[N+](C)(C)CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.[Cl-]

DOS

IR

Vibrations