Geometry & MOs

Info

ID:	220626
PubChem CID:	85198086
Reduced:	O2H7C11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	343.14063
ΔH_f, kcal/mol:	-44.73
Dipole, Da:	5.94
IP(EA), eV:	-8.85(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methyl-2-phenyl-3H-[1,2,4]triazolo[1,5-c]pyrimidin-6-ium-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=CC3=CC4=CC=CC=C4C=C3)OC(=O)C2=O)O

DOS

IR

Vibrations