Geometry & MOs

Info

ID:	49158
PubChem CID:	11528772
Reduced:	BrNO2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	234.080967
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	4.42
IP(EA), eV:	-8.73(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-5-phenyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2lambda5-oxaphosphinine 2-oxide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\1/CCCN1)/Br

DOS

IR

Vibrations