Geometry & MOs

Info

ID:	39982
PubChem CID:	8143345
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	382.182733
ΔH_f, kcal/mol:	-60.38
Dipole, Da:	0.87
IP(EA), eV:	-8.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-5-(furan-2-yl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations