Geometry & MOs

Info

ID:	266542
PubChem CID:	103570005
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	223.041548
ΔH_f, kcal/mol:	-93.69
Dipole, Da:	1.82
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations