Geometry & MOs

Info

ID:	245140
PubChem CID:	99437693
Reduced:	OSN7C20H23 (1)
Stoich.:	ABC7D20E23 (1)
Weight, g/mol:	409.16848
ΔH_f, kcal/mol:	92.86
Dipole, Da:	3.56
IP(EA), eV:	-9.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=NN=NN1C2=CC=CC(=C2)NC(=O)[C@@H]3CCCN(C3)CC4=CN=CC=C4

DOS

IR

Vibrations