Geometry & MOs

Info

ID:	130687
PubChem CID:	51092033
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	-90.92
Dipole, Da:	7.34
IP(EA), eV:	-8.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=N2)OCC)Cl

DOS

IR

Vibrations