Geometry & MOs

Info

ID:	202635
PubChem CID:	79702530
Reduced:	BrFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	317.04267
ΔH_f, kcal/mol:	-122.26
Dipole, Da:	6.52
IP(EA), eV:	-9.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-5-fluorophenyl)methyl-propan-2-ylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC(=CC(=C1)Br)F)CC(=O)O

DOS

IR

Vibrations