Geometry & MOs

Info

ID:	128460
PubChem CID:	51045396
Reduced:	SN3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	251.057388
ΔH_f, kcal/mol:	86.25
Dipole, Da:	7.48
IP(EA), eV:	-8.27(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-5-methyltriazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C3=NC(=S)C4=CC=CC=C4N3

DOS

IR

Vibrations