Geometry & MOs

Info

ID:	395477
PubChem CID:	135025550
Reduced:	Cl2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-151.36
Dipole, Da:	5.64
IP(EA), eV:	-10.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3S)-2-benzylidene-3-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCC2(CC1)CC(=O)C(C(=O)O2)(Cl)Cl

DOS

IR

Vibrations