Geometry & MOs

Info

ID:	257030
PubChem CID:	103143139
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	257.088578
ΔH_f, kcal/mol:	-24.42
Dipole, Da:	4.26
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(5-methyloxolan-2-yl)methylsulfinyl]aniline

Drug info:

PubChemData

Smile

CC(C1CCCCC1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations