Geometry & MOs

Info

ID:	408933
PubChem CID:	135081705
Reduced:	BC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	242.143682
ΔH_f, kcal/mol:	37.19
Dipole, Da:	0.01
IP(EA), eV:	-8.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B1(CC2=C(C1)CB(C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations