Geometry & MOs

Info

ID:	380117
PubChem CID:	134965049
Reduced:	NF3O3C10H16 (1)
Stoich.:	AB3C3D10E16 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	-246.66
Dipole, Da:	5.6
IP(EA), eV:	-11.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-2-methyl-4-oxo-6-phenylcyclohexane-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C[N+](=O)[O-])(C(F)(F)F)O

DOS

IR

Vibrations