Geometry & MOs

Info

ID:	211707
PubChem CID:	81049999
Reduced:	FNCl3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	309.109584
ΔH_f, kcal/mol:	-35.99
Dipole, Da:	4.52
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-chloro-4-fluoro-5-methylphenyl)-4-fluorophenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C1=C(C(=CC=C1)Cl)Cl)C2=C(C=C(C(=C2)C)F)Cl

DOS

IR

Vibrations