Geometry & MOs

Info

ID:	336951
PubChem CID:	127256106
Reduced:	BrH17C30 (1)
Stoich.:	AB17C30 (1)
Weight, g/mol:	557.15795
ΔH_f, kcal/mol:	124.56
Dipole, Da:	2.0
IP(EA), eV:	-8.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(4-iodophenyl)cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=C5C=CC6=C7C5=C(C=C4)C=CC7=C(C=C6)Br

DOS

IR

Vibrations