Geometry & MOs

Info

ID:	272148
PubChem CID:	103728028
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	3.94
IP(EA), eV:	-9.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(octan-4-ylamino)propanoate

Drug info:

PubChemData

Smile

CCCCC(CCC)NC(=O)C1=NNN=C1

DOS

IR

Vibrations