Geometry & MOs

Info

ID:	262581
PubChem CID:	103302193
Reduced:	BrNSF3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	343.01835
ΔH_f, kcal/mol:	-80.2
Dipole, Da:	2.67
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine

Drug info:

PubChemData

Smile

CNC(C1=CC(=C(C=C1F)F)F)C2=C(C=CS2)Br

DOS

IR

Vibrations