Geometry & MOs

Info

ID:	82988
PubChem CID:	49856946
Reduced:	BrFO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	355.04192
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	1.8
IP(EA), eV:	-9.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4,7-dihydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C=C(C=C2)F)O)Br)C

DOS

IR

Vibrations