Geometry & MOs

Info

ID:	59363
PubChem CID:	24844200
Reduced:	ClON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	273.104817
ΔH_f, kcal/mol:	63.57
Dipole, Da:	2.3
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[(3-methylphenyl)diazenyl]pyrazole-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C(=O)NN2C=CC=CC=C2Cl

DOS

IR

Vibrations