Geometry & MOs

Info

ID:	397187
PubChem CID:	135029859
Reduced:	C25H26 (1)
Stoich.:	A25B26 (1)
Weight, g/mol:	542.297351
ΔH_f, kcal/mol:	35.95
Dipole, Da:	0.59
IP(EA), eV:	-8.65(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octacyclo[16.14.2.24,13.27,10.221,24.227,30.02,17.03,14]dotetraconta-1,3,7,9,13,15,17,21(38),22,24(37),27,29,33,35,39,41-hexadecaene

Drug info:

PubChemData

Smile

CC1=C2CCC3=CC=C(CCC4=CC=C(CCC(=C1)C=C2)C=C4)C=C3

DOS

IR

Vibrations