Geometry & MOs

Info

ID:	338296
PubChem CID:	127258988
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	427.272259
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	2.74
IP(EA), eV:	-9.03(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diethylamino)-1-(4-hexoxyphenyl)-1-hydroxyethyl] 2-phenylacetate

Drug info:

PubChemData

Smile

CCCOC(C1=CC=CC=C1)N2CCC(CC2)OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations