Geometry & MOs

Info

ID:	378054
PubChem CID:	134224123
Reduced:	BrH13C14 (2)
Stoich.:	AB13C14 (2)
Weight, g/mol:	841.345698
ΔH_f, kcal/mol:	122.57
Dipole, Da:	0.79
IP(EA), eV:	-9.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenylphenyl]pyridine

Drug info:

PubChemData

Smile

CC1(CC2C3C4C5C3C2=CC(CC5C4=C1)(C)C6=CC=C(C=C6)Br)C7=CC=C(C=C7)Br

DOS

IR

Vibrations