Geometry & MOs

Info

ID:	341931
PubChem CID:	127264624
Reduced:	ClNOC8H12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	315.9381
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	6.0
IP(EA), eV:	-9.44(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(5-bromopyridin-2-yl)propanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)O)N.Cl

DOS

IR

Vibrations