Geometry & MOs

Info

ID:	372121
PubChem CID:	131293441
Reduced:	BrNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	276.97498
ΔH_f, kcal/mol:	-7.09
Dipole, Da:	5.37
IP(EA), eV:	-9.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)C)C#N)O

DOS

IR

Vibrations