Geometry & MOs

Info

ID:	184710
PubChem CID:	77195586
Reduced:	NO7C27H37 (1)
Stoich.:	AB7C27D37 (1)
Weight, g/mol:	527.249472
ΔH_f, kcal/mol:	-279.83
Dipole, Da:	4.43
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)-4-[1-hydroxy-2-[6-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethoxy]hexylamino]ethyl]phenyl] acetate

Drug info:

PubChemData

Smile

CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.C1C(C2C(O1)C(CO2)O)O

DOS

IR

Vibrations