Geometry & MOs

Info

ID:	213972
PubChem CID:	81065607
Reduced:	BrN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	296.153621
ΔH_f, kcal/mol:	-85.99
Dipole, Da:	3.78
IP(EA), eV:	-9.38(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=C(C=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations