Geometry & MOs

Info

ID:	348261
PubChem CID:	127273326
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	336.190989
ΔH_f, kcal/mol:	-98.01
Dipole, Da:	5.47
IP(EA), eV:	-8.59(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCOCC1)C(=O)CN2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations