Geometry & MOs

Info

ID:	25354
PubChem CID:	623500
Reduced:	ClO2N3H8C13 (1)
Stoich.:	AB2C3D8E13 (1)
Weight, g/mol:	273.057198
ΔH_f, kcal/mol:	33.7
Dipole, Da:	5.56
IP(EA), eV:	-9.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3C(=CC=C4)Cl

DOS

IR

Vibrations