Geometry & MOs

Info

ID:	339248
PubChem CID:	127260627
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	2.82
IP(EA), eV:	-8.31(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(2,2-dimethylpropylidene)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)/C=C\2/CCCCC2=O

DOS

IR

Vibrations