Geometry & MOs

Info

ID:	51795
PubChem CID:	12014539
Reduced:	O3H18C19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	384.23006
ΔH_f, kcal/mol:	-82.4
Dipole, Da:	1.99
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexyl] 3-oxocyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)OC(=O)C3=CC(=O)CCC3

DOS

IR

Vibrations