Geometry & MOs

Info

ID:	31035
PubChem CID:	854215
Reduced:	ON3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	347.96334
ΔH_f, kcal/mol:	56.08
Dipole, Da:	7.64
IP(EA), eV:	-8.4(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenoxy)-4,5-dihydroxychromen-7-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=CC=C(O2)C=C(C#N)C#N

DOS

IR

Vibrations