Geometry & MOs

Info

ID:	386006
PubChem CID:	134980510
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	292.193949
ΔH_f, kcal/mol:	-45.29
Dipole, Da:	3.7
IP(EA), eV:	-8.84(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-2-phenyl-4,6-di(propan-2-yl)cyclohex-3-ene-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC(=O)C1CCC=CC1N2CCCC2

DOS

IR

Vibrations