Geometry & MOs

Info

ID:	188030
PubChem CID:	77655666
Reduced:	SN2O2F3C23H31 (1)
Stoich.:	AB2C2D3E23F31 (1)
Weight, g/mol:	503.203191
ΔH_f, kcal/mol:	-261.48
Dipole, Da:	5.17
IP(EA), eV:	-8.33(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-hydroxy-2-[2-[7-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]ethylamino]propyl]phenyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1(CCSC2=CC=CC=C21)CC(CNC3CCCC4C3CCC(=O)N4)(C(F)(F)F)O

DOS

IR

Vibrations