Geometry & MOs

Info

ID:	12095
PubChem CID:	130000
Reduced:	O2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-121.41
Dipole, Da:	6.19
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(O2)C=C4C(=C3)C(=CC(=O)O4)CO

DOS

IR

Vibrations