Geometry & MOs

Info

ID:	228062
PubChem CID:	87563304
Reduced:	SN2O8C12H26 (1)
Stoich.:	AB2C8D12E26 (1)
Weight, g/mol:	524.3017
ΔH_f, kcal/mol:	-270.33
Dipole, Da:	10.77
IP(EA), eV:	-7.62(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenoxy)propan-2-amine;[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] acetate;hydrochloride

Drug info:

PubChemData

Smile

C1COCCN1CCS(=O)(=O)O.C(CO)N(CCO)CC(=O)O

DOS

IR

Vibrations