Geometry & MOs

Info

ID:	449074
PubChem CID:	135295792
Reduced:	NOH33C50 (1)
Stoich.:	ABC33D50 (1)
Weight, g/mol:	448.04628
ΔH_f, kcal/mol:	180.54
Dipole, Da:	1.03
IP(EA), eV:	-8.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(10-bromophenanthren-9-yl)-3-ethenyldibenzofuran

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC=C(C=C8)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations