Geometry & MOs

Info

ID:	246086
PubChem CID:	103043387
Reduced:	ClNF3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	299.054691
ΔH_f, kcal/mol:	-110.34
Dipole, Da:	2.92
IP(EA), eV:	-9.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C=C1)F)F)CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations