Geometry & MOs

Info

ID:	407826
PubChem CID:	135080581
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	212.156501
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	0.37
IP(EA), eV:	-9.54(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-3-butyl-1-phenylbicyclo[3.1.0]hex-2-ene

Drug info:

PubChemData

Smile

CCCCC/C=C\CCOC1CCCCO1

DOS

IR

Vibrations