Geometry & MOs

Info

ID:	446902
PubChem CID:	135278634
Reduced:	SN2F3O5C24H27 (1)
Stoich.:	AB2C3D5E24F27 (1)
Weight, g/mol:	339.00703
ΔH_f, kcal/mol:	-284.36
Dipole, Da:	6.48
IP(EA), eV:	-8.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-cyclopropyl-4-(2,4-difluorophenoxy)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CN=C2N1O)C3=C(C=CC(=C3)S(=O)(=O)C(C)(C)C(F)(F)F)OC4CCC(CC4)O

DOS

IR

Vibrations