Geometry & MOs

Info

ID:	21886
PubChem CID:	593050
Reduced:	NO2C3H4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	172.048407
ΔH_f, kcal/mol:	-123.06
Dipole, Da:	5.28
IP(EA), eV:	-9.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-5-(hydroxymethyl)-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NNC(=C1O)CO

DOS

IR

Vibrations