Geometry & MOs

Info

ID:	47807
PubChem CID:	10535435
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	4.72
IP(EA), eV:	-10.79(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,4-trimethylcyclohex-2-en-1-yl) acetate

Drug info:

PubChemData

Smile

C1CC1C(CCCC(=O)O)C2CC2

DOS

IR

Vibrations