Geometry & MOs

Info

ID:	81290
PubChem CID:	49854558
Reduced:	O5C13H17 (2)
Stoich.:	A5B13C17 (2)
Weight, g/mol:	250.062994
ΔH_f, kcal/mol:	-447.5
Dipole, Da:	4.03
IP(EA), eV:	-9.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-[1]benzofuro[3,2-c]chromen-6-one

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CCC([C@]2([C@]1(C3C=C4C(=CC(=O)O4)[C@@](C3[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)O)C)O)(C)C

DOS

IR

Vibrations