Geometry & MOs

Info

ID:	387414
PubChem CID:	134985290
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	240.95858
ΔH_f, kcal/mol:	-25.43
Dipole, Da:	2.54
IP(EA), eV:	-8.6(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-3-hydroxy-2-nitropropanoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1=CNC2=CC=CC=C21)[C@@H](C[N+](=O)[O-])C3=CNC4=CC=CC=C43

DOS

IR

Vibrations