Geometry & MOs

Info

ID:	257024
PubChem CID:	103143127
Reduced:	NOF3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	333.00343
ΔH_f, kcal/mol:	-183.97
Dipole, Da:	2.7
IP(EA), eV:	-9.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(5-methyloxolan-2-yl)methylsulfonyl]aniline

Drug info:

PubChemData

Smile

CC(CCCC(F)(F)F)(C1=CC=CC2=C1C=NC=C2)O

DOS

IR

Vibrations