Geometry & MOs

Info

ID:	201315
PubChem CID:	79524242
Reduced:	BrO2N3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	39.16
Dipole, Da:	4.81
IP(EA), eV:	-9.38(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CNC(CC1=C(C=C(C=N1)[N+](=O)[O-])Br)C2CC2

DOS

IR

Vibrations