Geometry & MOs

Info

ID:	402132
PubChem CID:	135054557
Reduced:	O3C17H28 (1)
Stoich.:	A3B17C28 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-158.54
Dipole, Da:	3.43
IP(EA), eV:	-9.33(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(cyclohexen-1-yl)-2-methylpent-4-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CC[C@H]([C@H]1O)C(=C)C)CCC=C(C)C

DOS

IR

Vibrations