Geometry & MOs

Info

ID:	216318
PubChem CID:	85086043
Reduced:	PO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	253.082447
ΔH_f, kcal/mol:	-212.07
Dipole, Da:	3.74
IP(EA), eV:	-9.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3,6-dimethyl-2,4-dioxo-5-(oxomethylidene)pyrimidin-1-ium-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1C(=O)OP(=O)(O1)CCCC2=CC=CC=C2

DOS

IR

Vibrations