Geometry & MOs

Info

ID:	333433
PubChem CID:	127251985
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	5.07
Dipole, Da:	2.56
IP(EA), eV:	-8.76(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[6-[(4-methoxyphenyl)methyl]pyridin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC=C(C=C2)C3CCCCN3C(=O)C4=CC=NN4

DOS

IR

Vibrations