Geometry & MOs

Info

ID:	265749
PubChem CID:	103544121
Reduced:	BrFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	239.132157
ΔH_f, kcal/mol:	-118.24
Dipole, Da:	4.43
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dioxolan-2-yl)-3-(4-fluoro-2-methylphenyl)propan-2-amine

Drug info:

PubChemData

Smile

C1COC(O1)CC(CC2=C(C(=CC=C2)F)Br)N

DOS

IR

Vibrations