Geometry & MOs

Info

ID:	427053
PubChem CID:	135155254
Reduced:	SF2N3O4C35H37 (1)
Stoich.:	AB2C3D4E35F37 (1)
Weight, g/mol:	268.158706
ΔH_f, kcal/mol:	-191.84
Dipole, Da:	4.78
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NC(C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)C6=CC=CC=C6)(F)F

DOS

IR

Vibrations