Geometry & MOs

Info

ID:	47955
PubChem CID:	10536038
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-168.88
Dipole, Da:	2.6
IP(EA), eV:	-9.65(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-one

Drug info:

PubChemData

Smile

CC(CC(=O)C(C)(C)C)CC(=O)OC

DOS

IR

Vibrations