Geometry & MOs

Info

ID:	51332
PubChem CID:	12013979
Reduced:	OI2H22C31 (1)
Stoich.:	AB2C22D31 (1)
Weight, g/mol:	826.04409
ΔH_f, kcal/mol:	95.07
Dipole, Da:	1.42
IP(EA), eV:	-8.89(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3,5-bis(4-iodophenyl)-4-(4-methylphenyl)phenyl]phenoxy]propyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=C(C=C2C3=CC=C(C=C3)I)C4=CC=C(C=C4)O)C5=CC=C(C=C5)I

DOS

IR

Vibrations