Geometry & MOs

Info

ID:	384374
PubChem CID:	134976869
Reduced:	BrOSH11C16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	396.281701
ΔH_f, kcal/mol:	79.32
Dipole, Da:	5.03
IP(EA), eV:	-8.7(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,2Z)-10,11-diphenyltricyclo[9.7.0.02,10]octadeca-1(18),2-diene

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C2=C(C2=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations