Geometry & MOs

Info

ID:	170943
PubChem CID:	75304817
Reduced:	BrN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	246.089209
ΔH_f, kcal/mol:	47.66
Dipole, Da:	5.47
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one

Drug info:

PubChemData

Smile

CN1C2C3=CC=CC=C3OCC2(C(O1)C4=CC(=CC=C4)Br)C#N

DOS

IR

Vibrations