Geometry & MOs

Info

ID:	161936
PubChem CID:	57393112
Reduced:	NO7C19H21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	478.283158
ΔH_f, kcal/mol:	-215.39
Dipole, Da:	2.79
IP(EA), eV:	-8.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]phenyl]ethylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2COC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC)N

DOS

IR

Vibrations