Geometry & MOs

Info

ID:	216317
PubChem CID:	85086042
Reduced:	BrNO2H8C10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	254.070796
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	7.28
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-oxo-2-(3-phenylpropyl)-1,3,2lambda5-dioxaphospholan-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C=CC#N)Br)O

DOS

IR

Vibrations