Geometry & MOs

Info

ID:	293948
PubChem CID:	117418969
Reduced:	BrNF2O2H6C8 (1)
Stoich.:	ABC2D2E6F8 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	3.57
IP(EA), eV:	-9.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-acetamido-3-methoxyphenyl)-4-aminobutanoic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Br)F)C(=O)CN)O)F

DOS

IR

Vibrations