Geometry & MOs

Info

ID:	220247
PubChem CID:	85177015
Reduced:	OC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	230.03063
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	2.01
IP(EA), eV:	-9.2(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)bicyclo[3.3.1]nonan-3-one

Drug info:

PubChemData

Smile

CC(=CCC1(C2C=CC(C1=O)(CC2=C)C)C)C

DOS

IR

Vibrations