Geometry & MOs

Info

ID:	50561
PubChem CID:	12013109
Reduced:	OH20C21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	316.182715
ΔH_f, kcal/mol:	9.02
Dipole, Da:	1.46
IP(EA), eV:	-8.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-heptylnaphtho[1,2-b][1]benzofuran

Drug info:

PubChemData

Smile

CCCCCC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4O3

DOS

IR

Vibrations