Geometry & MOs

Info

ID:	341554
PubChem CID:	127264247
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	543.896606
ΔH_f, kcal/mol:	-166.44
Dipole, Da:	3.66
IP(EA), eV:	-9.61(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

barium(2+);(2R)-2-hydroxy-3-phosphonooxypropanoate;dihydrate

Drug info:

PubChemData

Smile

CC1(CN(CC1C(=O)O)C(=O)OCC2=CC=CC=C2)C

DOS

IR

Vibrations