Geometry & MOs

Info

ID:	261065
PubChem CID:	103215995
Reduced:	ClINSH15C17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	406.97493
ΔH_f, kcal/mol:	72.14
Dipole, Da:	3.68
IP(EA), eV:	-8.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC(=C(C=C1)I)Cl)C2=CC=CC3=C2SC=C3

DOS

IR

Vibrations