Geometry & MOs

Info

ID:	211830
PubChem CID:	81054363
Reduced:	SN3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	246.093918
ΔH_f, kcal/mol:	4.22
Dipole, Da:	5.86
IP(EA), eV:	-8.47(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(3-methylpyrazol-1-yl)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N2CCC(C2)(C)C

DOS

IR

Vibrations