Geometry & MOs

Info

ID:	50859
PubChem CID:	12013448
Reduced:	ClPN2O2C12H15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	271.040317
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	2.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774596
Charge, e:	1

Chem-info

IUPAC name:

1-(3-chloropropyl)-3-methyl-2-oxo-1,3,2-benzodiazaphosphinin-2-ium-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N([P+]1=O)CCCCl

DOS

IR

Vibrations