Geometry & MOs

Info

ID:	293673
PubChem CID:	117396032
Reduced:	FNO4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	257.072179
ΔH_f, kcal/mol:	-151.42
Dipole, Da:	2.25
IP(EA), eV:	-8.64(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1CNOC)OCCCO2)F

DOS

IR

Vibrations