Geometry & MOs

Info

ID:	420418
PubChem CID:	135113026
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-80.56
Dipole, Da:	4.07
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)N2CCCN(CC2)CCOCC

DOS

IR

Vibrations