Geometry & MOs

Info

ID:	348242
PubChem CID:	127273307
Reduced:	N4O4C19H28 (1)
Stoich.:	A4B4C19D28 (1)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	-184.98
Dipole, Da:	10.16
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)N2CCCC(C2)C(=O)N3CCOCC3)C

DOS

IR

Vibrations