Geometry & MOs

Info

ID:	153341
PubChem CID:	56312524
Reduced:	BrN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	338.179442
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	7.06
IP(EA), eV:	-9.53(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1CC(=O)N(C1)C2=CC=CC=C2Br)C3=CC=CC=C3

DOS

IR

Vibrations