Geometry & MOs

Info

ID:	185119
PubChem CID:	77257069
Reduced:	F3N3O4C24H24 (1)
Stoich.:	A3B3C4D24E24 (1)
Weight, g/mol:	698.17155
ΔH_f, kcal/mol:	-225.82
Dipole, Da:	3.36
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-1H-indol-3-yl)-N-[1-(4-naphthalen-2-yl-1H-imidazol-1-ium-2-yl)-7-oxononyl]acetamide;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C#N)NC(=O)C3CCCCN3OC(=O)C(F)(F)F

DOS

IR

Vibrations