Geometry & MOs

Info

ID:	389513
PubChem CID:	134993421
Reduced:	PSO2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-158.28
Dipole, Da:	4.78
IP(EA), eV:	-8.76(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(1S)-3,4-dimethylcyclohex-3-en-1-yl]-2-hydroxypropan-1-one

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@@H](C2)[C@@H]1CP(=S)(CO)CO)C

DOS

IR

Vibrations