Geometry & MOs

Info

ID:	418980
PubChem CID:	135107256
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	12.61
Dipole, Da:	2.02
IP(EA), eV:	-9.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)CNC(=O)C2CC3=CC=CC=C3CN2CC

DOS

IR

Vibrations