Geometry & MOs

Info

ID:	149219
PubChem CID:	53788891
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	387.298473
ΔH_f, kcal/mol:	-72.08
Dipole, Da:	0.82
IP(EA), eV:	-9.35(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[[(4S)-2-heptoxy-2,4-dihydroxycyclopentyl]-methylamino]hexanoate

Drug info:

PubChemData

Smile

C1C[C@H](COC1)[C@]2(NCCO2)C3=CC=CC=C3

DOS

IR

Vibrations