Geometry & MOs

Info

ID:	367597
PubChem CID:	127325086
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	49.37
Dipole, Da:	4.75
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)NC(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations