Geometry & MOs

Info

ID:	395696
PubChem CID:	135026275
Reduced:	NOCl2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	433.993638
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	4.66
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-(3,4-dichlorophenyl)-2-[(3,4-dichlorophenyl)diazenyl]-2-methylpropyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(C)(CC1=CC(=C(C=C1)Cl)Cl)N=NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations