Geometry & MOs

Info

ID:	243104
PubChem CID:	99215650
Reduced:	FO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	367.146681
ΔH_f, kcal/mol:	-75.87
Dipole, Da:	2.44
IP(EA), eV:	-8.7(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-benzyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)F)[C@@H](C)NC(=O)CCCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations