Geometry & MOs

Info

ID:	304428
PubChem CID:	124593908
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	14.6
Dipole, Da:	4.4
IP(EA), eV:	-9.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S)-2-amino-3-hydroxy-3-(6-methoxypyridin-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=C(C=N2)C(=O)N3CCC[C@@H](C3)N

DOS

IR

Vibrations