Geometry & MOs

Info

ID:	213639
PubChem CID:	81064468
Reduced:	BrFNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-163.69
Dipole, Da:	3.01
IP(EA), eV:	-10.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations