Geometry & MOs

Info

ID:	79910
PubChem CID:	49831274
Reduced:	BrO2N5H12C18 (1)
Stoich.:	AB2C5D12E18 (1)
Weight, g/mol:	420.120903
ΔH_f, kcal/mol:	57.94
Dipole, Da:	3.41
IP(EA), eV:	-9.64(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[1-(2,4-dihydroxyphenyl)ethyl]-5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)N3C(C(=C(N3C2=O)N)C#N)C4=CC(=CC=C4)Br

DOS

IR

Vibrations