Geometry & MOs

Info

ID:	51331
PubChem CID:	12013978
Reduced:	IH12C16 (2)
Stoich.:	AB12C16 (2)
Weight, g/mol:	663.97601
ΔH_f, kcal/mol:	130.41
Dipole, Da:	1.73
IP(EA), eV:	-8.93(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,5-bis(4-iodophenyl)-4-(4-methylphenyl)phenyl]phenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)C)C5=CC=C(C=C5)I

DOS

IR

Vibrations