Geometry & MOs

Info

ID:	311378
PubChem CID:	126591250
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	3.56
IP(EA), eV:	-9.34(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]quinolin-2-one

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Br)C(C(=O)OC)N

DOS

IR

Vibrations