Geometry & MOs

Info

ID:	221427
PubChem CID:	85272974
Reduced:	BrOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	271.056861
ΔH_f, kcal/mol:	38.45
Dipole, Da:	3.41
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-oxo-7-(trifluoromethyl)-4aH-1,8-naphthyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

COC12C3CCC(C3)C1(C4CCC2C4)Br

DOS

IR

Vibrations