Geometry & MOs

Info

ID:	141822
PubChem CID:	52933562
Reduced:	O2F3N4H17C23 (1)
Stoich.:	A2B3C4D17E23 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-113.86
Dipole, Da:	2.34
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-hydroxyphenoxy)-4-[2-(methylamino)ethylamino]phenoxy]phenol

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=NC=C4C(=C3C=C2)N(C(=O)N4)CC5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations