Geometry & MOs

Info

ID:	333493
PubChem CID:	127252045
Reduced:	N5C24H25 (1)
Stoich.:	A5B24C25 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	115.5
Dipole, Da:	4.54
IP(EA), eV:	-8.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[1-(1-acetylpiperidine-4-carbonyl)piperidin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(C=C2)C3CCCCN3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations