Geometry & MOs

Info

ID:	3071
PubChem CID:	9116
Reduced:	H4C7 (4)
Stoich.:	A4B7 (4)
Weight, g/mol:	352.125201
ΔH_f, kcal/mol:	121.74
Dipole, Da:	0.09
IP(EA), eV:	-8.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC4=CC5=CC=CC=C5C6=C4C3=C2C7=CC=CC=C76

DOS

IR

Vibrations