Geometry & MOs

Info

ID:	34246
PubChem CID:	7890466
Reduced:	ClNO3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-149.72
Dipole, Da:	2.89
IP(EA), eV:	-9.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations