Geometry & MOs

Info

ID:	18793
PubChem CID:	548338
Reduced:	N3O5C8H13 (1)
Stoich.:	A3B5C8D13 (1)
Weight, g/mol:	231.085521
ΔH_f, kcal/mol:	-170.21
Dipole, Da:	4.82
IP(EA), eV:	-9.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-dihydroxypropan-2-yloxymethyl)-4-hydroxy-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C(C1=C(C(=NN1)C(=O)N)O)OC(CO)CO

DOS

IR

Vibrations