Geometry & MOs

Info

ID:	49093
PubChem CID:	11528702
Reduced:	ClN2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	227.07113
ΔH_f, kcal/mol:	-93.75
Dipole, Da:	2.02
IP(EA), eV:	-9.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-3-oxopropyl)-benzylphosphinic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)OC(=O)N2CC(=O)N

DOS

IR

Vibrations