Geometry & MOs

Info

ID:	133221
PubChem CID:	51495630
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	5.48
IP(EA), eV:	-9.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2R,3S)-6-oxo-2-pyridin-3-ylpiperidin-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]([C@H]1NC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4

DOS

IR

Vibrations