Geometry & MOs

Info

ID:	40195
PubChem CID:	8143732
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	322.101896
ΔH_f, kcal/mol:	-146.68
Dipole, Da:	3.8
IP(EA), eV:	-8.51(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-4-ethyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CN2CCCC2)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations