Geometry & MOs

Info

ID:	47820
PubChem CID:	10535473
Reduced:	PC4O6H9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	184.03806
ΔH_f, kcal/mol:	-315.01
Dipole, Da:	3.99
IP(EA), eV:	-10.87(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-azanylidyne(15N)azaniumyl-1,3-dimethyl-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H](P(=O)(O1)O)O)O)O

DOS

IR

Vibrations