Geometry & MOs

Info

ID:	187793
PubChem CID:	77624448
Reduced:	Cl2N2F3O4C26H33 (1)
Stoich.:	A2B2C3D4E26F33 (1)
Weight, g/mol:	286.1304
ΔH_f, kcal/mol:	-333.19
Dipole, Da:	10.42
IP(EA), eV:	-8.89(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-diethyl-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)OCCNC2C3C2CN(C3)CC4=CC(=CC=C4)C(F)(F)F)C(=O)O.Cl.Cl

DOS

IR

Vibrations