Geometry & MOs

Info

ID:	127054
PubChem CID:	50988708
Reduced:	NOSCl2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	206.039295
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	1.9
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN)OCCSC2=CC=C(C=C2)Cl.Cl

DOS

IR

Vibrations