Geometry & MOs

Info

ID:	50911
PubChem CID:	12013504
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	19.49
Dipole, Da:	3.08
IP(EA), eV:	-9.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CC1C2CC2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations