Geometry & MOs

Info

ID:	145403
PubChem CID:	53517473
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	326.106671
ΔH_f, kcal/mol:	-42.58
Dipole, Da:	2.76
IP(EA), eV:	-9.54(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N)CC2=NN=C(O2)C3=CC=CO3

DOS

IR

Vibrations