Geometry & MOs

Info

ID:	142170
PubChem CID:	52995417
Reduced:	Cl3N3O4C22H28 (1)
Stoich.:	A3B3C4D22E28 (1)
Weight, g/mol:	477.191815
ΔH_f, kcal/mol:	-204.05
Dipole, Da:	6.49
IP(EA), eV:	-8.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3,4,8-trimethylchromen-2-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](CN3CCN(CC3)C4=CC=CC=N4)O.Cl.Cl.Cl

DOS

IR

Vibrations