Geometry & MOs

Info

ID:	379996
PubChem CID:	134964446
Reduced:	BrPO2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	226.172151
ΔH_f, kcal/mol:	-65.56
Dipole, Da:	1.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.821719
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-6-butyl-7-phenylbicyclo[3.2.0]hept-6-ene

Drug info:

PubChemData

Smile

CCO[P+](=O)C1=CC=CC=C1Br

DOS

IR

Vibrations