Geometry & MOs

Info

ID:	379105
PubChem CID:	134352383
Reduced:	N2H13C21 (2)
Stoich.:	A2B13C21 (2)
Weight, g/mol:	446.06701
ΔH_f, kcal/mol:	229.29
Dipole, Da:	2.51
IP(EA), eV:	-8.86(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-bromophenyl)-7-phenylbenzo[a]phenalene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC6=CC=CC=C6N=C5)C7=CC8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations