Geometry & MOs

Info

ID:	9595
PubChem CID:	91282
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	1.71
Dipole, Da:	3.87
IP(EA), eV:	-9.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-1-phenylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1=O)(C#N)C2=CC=CC=C2

DOS

IR

Vibrations