Geometry & MOs

Info

ID:	11901
PubChem CID:	123034
Reduced:	H4C7 (4)
Stoich.:	A4B7 (4)
Weight, g/mol:	352.125201
ΔH_f, kcal/mol:	132.38
Dipole, Da:	0.13
IP(EA), eV:	-7.72(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=CC=CC6=CC7=CC=CC=C7C4=C65

DOS

IR

Vibrations