Geometry & MOs

Info

ID:	341520
PubChem CID:	127264213
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	237.93538
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	1.66
IP(EA), eV:	-9.17(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-(5-bromopyrimidin-2-yl)acetate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N[C@@H]2[C@H](CCO2)C(=O)OC

DOS

IR

Vibrations