Geometry & MOs

Info

ID:	82891
PubChem CID:	49856755
Reduced:	BrNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	353.06266
ΔH_f, kcal/mol:	-155.33
Dipole, Da:	6.07
IP(EA), eV:	-9.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-hydroxy-1'-propylspiro[3H-chromene-2,4'-piperidine]-4-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC2(CC1)C(C(=O)C3=C(O2)C=C(C=C3)O)Br

DOS

IR

Vibrations