Geometry & MOs

Info

ID:	372742
PubChem CID:	131303793
Reduced:	ON2S2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	238.088832
ΔH_f, kcal/mol:	4.92
Dipole, Da:	1.4
IP(EA), eV:	-8.74(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)C2=C(SC=C2)N

DOS

IR

Vibrations