Geometry & MOs

Info

ID:	125631
PubChem CID:	50930587
Reduced:	CH2 (7)
Stoich.:	AB2 (7)
Weight, g/mol:	244.04628
ΔH_f, kcal/mol:	-14.17
Dipole, Da:	0.56
IP(EA), eV:	-10.04(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,7S)-7-[(1S)-1-bromoethyl]-3,3-dimethylbicyclo[4.1.0]heptan-2-one

Drug info:

PubChemData

Smile

CCC[C@@H](C)C=C

DOS

IR

Vibrations