Geometry & MOs

Info

ID:	3077
PubChem CID:	9127
Reduced:	H4C7 (4)
Stoich.:	A4B7 (4)
Weight, g/mol:	352.125201
ΔH_f, kcal/mol:	110.59
Dipole, Da:	0.04
IP(EA), eV:	-8.07(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[14.10.2.03,12.05,10.013,27.020,28.021,26]octacosa-1,3,5,7,9,11,13(27),14,16(28),17,19,21,23,25-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C6=CC=CC=C6C7=CC=CC(=C75)C=C4

DOS

IR

Vibrations