Geometry & MOs

Info

ID:	304538
PubChem CID:	124756220
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	3.82
IP(EA), eV:	-8.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)[C@@H](CNC(=O)C2=CC=CNC2=O)C3=CC=CC=C3

DOS

IR

Vibrations