Geometry & MOs

Info

ID:	151391
PubChem CID:	53801184
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	266.114081
ΔH_f, kcal/mol:	-174.29
Dipole, Da:	2.25
IP(EA), eV:	-10.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

propyl 6-(2-hydroxyethyl)-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC(=C(CC=C)C(=O)O)C(=O)O

DOS

IR

Vibrations