Geometry & MOs

Info

ID:	394379
PubChem CID:	135022890
Reduced:	OC28H46 (1)
Stoich.:	AB28C46 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	2.66
IP(EA), eV:	-9.28(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-3-(1-phenylethenoxy)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)C1CCC\2[C@@]1(CCC/C2=C\[C@H](C34CC3CCC4=C)OC)C

DOS

IR

Vibrations