Geometry & MOs

Info

ID:	379969
PubChem CID:	134964411
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-145.77
Dipole, Da:	0.78
IP(EA), eV:	-9.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C(C/C=C\OC(=O)C)O

DOS

IR

Vibrations