Geometry & MOs

Info

ID:	280046
PubChem CID:	103846545
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	274.99572
ΔH_f, kcal/mol:	-143.17
Dipole, Da:	5.3
IP(EA), eV:	-9.66(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-3-(2-bromo-4-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

COCC(C(=O)O)OCC1=CC=CC=C1

DOS

IR

Vibrations