Geometry & MOs

Info

ID:	208423
PubChem CID:	80529034
Reduced:	ClINSH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	291.009633
ΔH_f, kcal/mol:	63.0
Dipole, Da:	1.21
IP(EA), eV:	-9.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

Drug info:

PubChemData

Smile

CNC(C1=CC=CC=C1I)C2=C(C=CS2)Cl

DOS

IR

Vibrations