Geometry & MOs

Info

ID:	46387
PubChem CID:	10524185
Reduced:	O7C21H22 (1)
Stoich.:	A7B21C22 (1)
Weight, g/mol:	386.115424
ΔH_f, kcal/mol:	-236.95
Dipole, Da:	6.24
IP(EA), eV:	-9.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-(4-hydroxyphenoxy)phenoxy]phenoxy]phenol

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]12CC3CCC4=CC=CC=C4[C@]3(O1)C(=C2C(=O)OC)C(=O)OC

DOS

IR

Vibrations