Geometry & MOs

Info

ID:	304382
PubChem CID:	124570917
Reduced:	N5C19H27 (1)
Stoich.:	A5B19C27 (1)
Weight, g/mol:	288.01095
ΔH_f, kcal/mol:	51.96
Dipole, Da:	7.91
IP(EA), eV:	-8.94(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-2-amino-3-(5-bromopyridin-3-yl)-3-hydroxypropanoate

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)[C@@H]3CCCN(C3)CCC4=CC=NC=C4

DOS

IR

Vibrations