Geometry & MOs

Info

ID:	82510
PubChem CID:	49856118
Reduced:	O4C17H30 (1)
Stoich.:	A4B17C30 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-230.68
Dipole, Da:	3.65
IP(EA), eV:	-9.9(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl acetate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](CCC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C

DOS

IR

Vibrations