Geometry & MOs

Info

ID:	30044
PubChem CID:	839119
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	258.045443
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	7.71
IP(EA), eV:	-8.49(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=C(C=C2)N(C)C)CCN(C)C)O

DOS

IR

Vibrations