Geometry & MOs

Info

ID:	125434
PubChem CID:	50924028
Reduced:	FOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-11.95
Dipole, Da:	1.02
IP(EA), eV:	-9.18(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-hydroxy-4-methyl-3-phenyl-4-prop-1-ynylcyclohexan-1-one

Drug info:

PubChemData

Smile

C=CCO[C@@H](/C=C/C1=CC=CC=C1)C2=CC(=CC=C2)F

DOS

IR

Vibrations