Geometry & MOs

Info

ID:	25699
PubChem CID:	629339
Reduced:	IC3N3P3Cl4H7 (1)
Stoich.:	AB3C3D3E4F7 (1)
Weight, g/mol:	335.246044
ΔH_f, kcal/mol:	-162.3
Dipole, Da:	3.09
IP(EA), eV:	-9.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-1-(2,6,6-trimethylcyclohexen-1-yl)undec-1-en-3-one

Drug info:

PubChemData

Smile

CCCP1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)I

DOS

IR

Vibrations