Geometry & MOs

Info

ID:	295025
PubChem CID:	117512056
Reduced:	BrFNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	331.04192
ΔH_f, kcal/mol:	-131.44
Dipole, Da:	3.1
IP(EA), eV:	-9.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC1OC2=C(C=C(C=C2Br)F)C(CCC(=O)O)N

DOS

IR

Vibrations