Geometry & MOs

Info

ID:	211796
PubChem CID:	81054206
Reduced:	OSN5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	294.070595
ΔH_f, kcal/mol:	42.8
Dipole, Da:	3.21
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCC2=NC(=NO2)C

DOS

IR

Vibrations