Geometry & MOs

Info

ID:	218589
PubChem CID:	85089654
Reduced:	F3O6C25H29 (1)
Stoich.:	A3B6C25D29 (1)
Weight, g/mol:	482.172939
ΔH_f, kcal/mol:	-382.4
Dipole, Da:	4.31
IP(EA), eV:	-9.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-2-methoxyphenyl)-5-(4-hydroxyphenyl)-2-methyl-4,4a,5,12b-tetrahydro-3H-isochromeno[4,3-g]chromen-9-one

Drug info:

PubChemData

Smile

CC1C2CCC3(CCC(C4(C3(C2OC1=O)O4)C)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC)C

DOS

IR

Vibrations