Geometry & MOs

Info

ID:	391404
PubChem CID:	135004762
Reduced:	WN3O7H19C24 (1)
Stoich.:	AB3C7D19E24 (1)
Weight, g/mol:	315.12356
ΔH_f, kcal/mol:	65.92
Dipole, Da:	4.18
IP(EA), eV:	-6.34(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[diethoxyphosphoryl(phenyl)methyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=[W])C1=C(N(N=N1)CC2=CC=C(C=C2)OC)C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations