Geometry & MOs

Info

ID:	66230
PubChem CID:	46500465
Reduced:	N2O2F3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	441.994
ΔH_f, kcal/mol:	-184.0
Dipole, Da:	4.64
IP(EA), eV:	-9.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C(=C(C3=CC=CC=C32)C(=O)C(F)(F)F)C

DOS

IR

Vibrations