Geometry & MOs

Info

ID:	3086
PubChem CID:	9138
Reduced:	H4C7 (4)
Stoich.:	A4B7 (4)
Weight, g/mol:	352.125201
ΔH_f, kcal/mol:	252.79
Dipole, Da:	1.48
IP(EA), eV:	-7.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[18.6.2.02,15.04,13.06,11.017,27.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C=C4C5=C6C(=CC4=CC3=CC2=C1)C=CC7=C6C(=CC=C7)C=C5

DOS

IR

Vibrations