Geometry & MOs

Info

ID:	49463
PubChem CID:	11533057
Reduced:	OF4N4H18C26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	478.126382
ΔH_f, kcal/mol:	-96.1
Dipole, Da:	0.45
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=C(C=C3)C4=NN(C=C4C5=CC=NC=C5)CC(F)(F)F)F

DOS

IR

Vibrations