Geometry & MOs

Info

ID:	305144
PubChem CID:	124766576
Reduced:	O6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-241.56
Dipole, Da:	2.22
IP(EA), eV:	-8.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S)-2,4-diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC(=O)[C@H]1[C@H]([C@@H]([C@](CC1=O)(C)O)C(=O)C)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations