Geometry & MOs

Info

ID:	197785
PubChem CID:	78996002
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-148.44
Dipole, Da:	5.26
IP(EA), eV:	-9.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanoate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)N1CCC2(C1)C(=O)NC(=O)N2

DOS

IR

Vibrations