Geometry & MOs

Info

ID:	3129
PubChem CID:	9192
Reduced:	OH8C12 (1)
Stoich.:	AB8C12 (1)
Weight, g/mol:	168.057515
ΔH_f, kcal/mol:	23.22
Dipole, Da:	0.71
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[e][1]benzofuran

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CO3

DOS

IR

Vibrations