Geometry & MOs

Info

ID:	283613
PubChem CID:	103992914
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	6.54
IP(EA), eV:	-8.61(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(oxan-2-yl)ethylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1CNCCC2CCCCO2

DOS

IR

Vibrations