Geometry & MOs

Info

ID:	40165
PubChem CID:	8143671
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	386.931373
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	3.8
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-3-oxo-2-[(2,4,6-trichlorophenyl)diazenyl]propanenitrile

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CN2CCCC2)C3=CC4=C(C=C3)C=C(C=C4)OC

DOS

IR

Vibrations