Geometry & MOs

Info

ID:	392535
PubChem CID:	135017112
Reduced:	O2C23H26 (1)
Stoich.:	A2B23C26 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-32.07
Dipole, Da:	1.78
IP(EA), eV:	-9.18(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-(2-hydroxypropan-2-yl)-5-methyl-5-phenylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCCCCCC(=C=C(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations