Geometry & MOs

Info

ID:	136349
PubChem CID:	52027010
Reduced:	BrON4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	334.068447
ΔH_f, kcal/mol:	34.28
Dipole, Da:	3.37
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-fluoro-N-[2-(4-fluoroindol-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2CCNC(=O)C3=CC(=CN=C3)N)C(=C1)Br

DOS

IR

Vibrations