Geometry & MOs

Info

ID:	305143
PubChem CID:	124766575
Reduced:	NO7C20H27 (1)
Stoich.:	AB7C20D27 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-290.74
Dipole, Da:	3.42
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@H]2[C@@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C

DOS

IR

Vibrations