Geometry & MOs

Info

ID:	271867
PubChem CID:	103694366
Reduced:	BrFON2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	2.18
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C2=NC=C(N2)CO)Br

DOS

IR

Vibrations