Geometry & MOs

Info

ID:	22522
PubChem CID:	597417
Reduced:	OC8H14 (2)
Stoich.:	AB8C14 (2)
Weight, g/mol:	252.20893
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	1.87
IP(EA), eV:	-9.78(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1,5,5,8-tetramethyl-9-bicyclo[4.2.1]nonanyl)acetate

Drug info:

PubChemData

Smile

CC1CC2C(C1(CCCC2(C)C)C)CC(=O)OC

DOS

IR

Vibrations