Geometry & MOs

Info

ID:	201186
PubChem CID:	79503172
Reduced:	ON5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	247.052781
ΔH_f, kcal/mol:	-24.38
Dipole, Da:	5.08
IP(EA), eV:	-8.83(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)CN)NC(=O)NC2CCCCC2

DOS

IR

Vibrations