Geometry & MOs

Info

ID:	252965
PubChem CID:	103115205
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	295.128054
ΔH_f, kcal/mol:	39.38
Dipole, Da:	4.82
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxy-2-hydroxypropyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CCC3=CSC=C3)C(=O)O

DOS

IR

Vibrations