Geometry & MOs

Info

ID:	248193
PubChem CID:	103079580
Reduced:	SN6C7H10 (1)
Stoich.:	AB6C7D10 (1)
Weight, g/mol:	254.09498
ΔH_f, kcal/mol:	92.14
Dipole, Da:	4.18
IP(EA), eV:	-8.22(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-1-methylpyrazol-3-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)SC2=NN(C=C2N)C

DOS

IR

Vibrations