Geometry & MOs

Info

ID:	82890
PubChem CID:	49856754
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	353.02627
ΔH_f, kcal/mol:	-72.51
Dipole, Da:	5.95
IP(EA), eV:	-8.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-acetyl-3-bromo-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations