Geometry & MOs

Info

ID:	298499
PubChem CID:	117650286
Reduced:	N3H47C62 (1)
Stoich.:	A3B47C62 (1)
Weight, g/mol:	463.95983
ΔH_f, kcal/mol:	347.87
Dipole, Da:	7.44
IP(EA), eV:	-7.08(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[2-[2-(3-bromophenyl)phenyl]phenyl]benzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C3=CC=CC(=C3)N(C4=CC(=CC=C4)N(C5=C6C=CC7=C(C=C(C8=C7C6=C(C2=C5)C=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=C(C=C(C=C1)C)C)C1=CC=CC=C1)C

DOS

IR

Vibrations