Geometry & MOs

Info

ID:	253648
PubChem CID:	103119759
Reduced:	SN5H9C10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	256.01856
ΔH_f, kcal/mol:	127.57
Dipole, Da:	0.87
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NNC(=N2)C3=CC=CS3

DOS

IR

Vibrations