Geometry & MOs

Info

ID:	293014
PubChem CID:	117370026
Reduced:	NSF2O2C10H11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	247.118399
ΔH_f, kcal/mol:	-161.22
Dipole, Da:	4.24
IP(EA), eV:	-8.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]propan-1-amine

Drug info:

PubChemData

Smile

CSC1=C(C=CC(=C1F)C(CN)C(=O)O)F

DOS

IR

Vibrations