Geometry & MOs

Info

ID:	11596
PubChem CID:	118088
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-88.22
Dipole, Da:	3.07
IP(EA), eV:	-9.44(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate

Drug info:

PubChemData

Smile

CC1=CC(C2CC1C2(C)C)OC(=O)C

DOS

IR

Vibrations