Geometry & MOs

Info

ID:	40204
PubChem CID:	8143748
Reduced:	OSN5C22H23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	337.136117
ΔH_f, kcal/mol:	57.6
Dipole, Da:	3.1
IP(EA), eV:	-8.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-5-pyridin-3-yl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN(C4=S)CN5CCCC5)C

DOS

IR

Vibrations