Geometry & MOs

Info

ID:	339253
PubChem CID:	127260632
Reduced:	OC20H22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-19.11
Dipole, Da:	2.85
IP(EA), eV:	-8.99(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2,4,4-trimethyl-6-oxocyclohexyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@H](CCCC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations