Geometry & MOs

Info

ID:	334074
PubChem CID:	127252626
Reduced:	ON3C23H35 (1)
Stoich.:	AB3C23D35 (1)
Weight, g/mol:	474.095082
ΔH_f, kcal/mol:	-25.87
Dipole, Da:	4.8
IP(EA), eV:	-8.35(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-8-phenylfuro[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@H]2C1)CN(CC3CC3)C(=O)NCCC4=CC=CC=C4

DOS

IR

Vibrations