Geometry & MOs

Info

ID:	83099
PubChem CID:	49857145
Reduced:	BrO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	337.03136
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	1.15
IP(EA), eV:	-8.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=CC3=C(O2)C=C(C=C3)O)Br

DOS

IR

Vibrations