Geometry & MOs

Info

ID:	297029
PubChem CID:	117606506
Reduced:	F2O2N3C23H29 (1)
Stoich.:	A2B2C3D23E29 (1)
Weight, g/mol:	321.093185
ΔH_f, kcal/mol:	-141.48
Dipole, Da:	5.51
IP(EA), eV:	-8.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-[(1S)-1-aminopropyl]-6-chloro-2-fluorophenoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N)N[C@H](CC1CCNCC1)C2=C(C(=C(C=C2)F)OC3=CC=CC=C3)F

DOS

IR

Vibrations