Geometry & MOs

Info

ID:	40103
PubChem CID:	8143566
Reduced:	OS2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	372.107854
ΔH_f, kcal/mol:	46.09
Dipole, Da:	6.36
IP(EA), eV:	-8.13(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=NN(C(=S)S2)CN3CCCC3

DOS

IR

Vibrations