Geometry & MOs

Info

ID:	347335
PubChem CID:	127272184
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	320.14193
ΔH_f, kcal/mol:	24.19
Dipole, Da:	8.07
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCNC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations