Geometry & MOs

Info

ID:	80745
PubChem CID:	49836639
Reduced:	NO3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-87.7
Dipole, Da:	5.0
IP(EA), eV:	-8.8(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-hydroxybutyl(phenylmethoxy)amino]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C1CC2(CC1N3CCC(CC3)C(=O)O)CC4=CC=CC=C4OC5=CC=CC=C25

DOS

IR

Vibrations