Geometry & MOs

Info

ID:	8790
PubChem CID:	81505
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	1.96
IP(EA), eV:	-9.43(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations