Geometry & MOs

Info

ID:	53471
PubChem CID:	14716223
Reduced:	NC22H22 (2)
Stoich.:	AB22C22 (2)
Weight, g/mol:	552.204907
ΔH_f, kcal/mol:	113.61
Dipole, Da:	1.81
IP(EA), eV:	-7.73(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(3-hydroxy-N-(3-hydroxyphenyl)anilino)phenyl]-N-(3-hydroxyphenyl)anilino]phenol

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)CCCC

DOS

IR

Vibrations