Geometry & MOs

Info

ID:	31328
PubChem CID:	855580
Reduced:	ClN3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	60.09
Dipole, Da:	1.8
IP(EA), eV:	-8.35(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methylbenzohydrazide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1N)Cl)C2=CC=CC=C2

DOS

IR

Vibrations