Geometry & MOs

Info

ID:	20278
PubChem CID:	582921
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	-25.57
Dipole, Da:	3.27
IP(EA), eV:	-9.36(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-6,6-dimethylbicyclo[3.1.1]heptan-3-one

Drug info:

PubChemData

Smile

CC1(C2CC1C(C(=O)C2)CC3=CC=CC=C3)C

DOS

IR

Vibrations