Geometry & MOs

Info

ID:	395039
PubChem CID:	135024496
Reduced:	OH36C41 (1)
Stoich.:	AB36C41 (1)
Weight, g/mol:	258.140851
ΔH_f, kcal/mol:	116.21
Dipole, Da:	1.73
IP(EA), eV:	-8.63(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-diphenylbicyclo[4.2.0]octa-1(6),7-diene

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3(C(=O)C2(C45C3(CCCC4)C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations