Geometry & MOs

Info

ID:	230
PubChem CID:	2372
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-127.49
Dipole, Da:	1.23
IP(EA), eV:	-8.23(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O

DOS

IR

Vibrations