Geometry & MOs

Info

ID:	216483
PubChem CID:	85086300
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	0.69
IP(EA), eV:	-8.63(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(methoxymethylidene)cyclohexyl]-3-phenylbutan-2-one

Drug info:

PubChemData

Smile

CC(CCC=C(C)COCC1=CC=C(C=C1)OC)C#C

DOS

IR

Vibrations