Geometry & MOs

Info

ID:	373205
PubChem CID:	131311516
Reduced:	BrF2O2H7C8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	222.069222
ΔH_f, kcal/mol:	-172.61
Dipole, Da:	3.15
IP(EA), eV:	-9.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-6-oxo-7,8-dihydro-5H-naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1O)Br)C(F)F)CO

DOS

IR

Vibrations