Geometry & MOs

Info

ID:	34244
PubChem CID:	7890453
Reduced:	ClNO3H22C23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-85.76
Dipole, Da:	7.95
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=C(C=C3)Cl)C)C

DOS

IR

Vibrations