Geometry & MOs

Info

ID:

186119

PubChem CID:

77391811

Reduced:

NO10C47H53 (1)

Stoich.:

AB10C47D53 (1)

Weight, g/mol:

473.168581

ΔHf, kcal/mol:

-351.4

Dipole, Da:

1.96

IP(EA), eV:

 -8.64(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]-3,7-dihydroxychromen-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CC2=CC=CC=C2)CC(C3C(C(C(C(O3)OCCCNC(=O)OCC4=CC=CC=C4)O)O)(CC5=C(C=CC(=C5)OC)CC6=CC=CC=C6)O)O

DOS

IR

Vibrations