Geometry & MOs

Info

ID:	253362
PubChem CID:	103117956
Reduced:	OSN4C9H14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	7.9
Dipole, Da:	6.85
IP(EA), eV:	-8.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-carbamothioyl-2-methylphenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=S)N)N(C)C(=O)C1=NN(C=C1)C

DOS

IR

Vibrations