Geometry & MOs

Info

ID:	40259
PubChem CID:	8143829
Reduced:	OSN4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	305.143607
ΔH_f, kcal/mol:	54.41
Dipole, Da:	4.39
IP(EA), eV:	-8.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(2-methoxyphenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations