Geometry & MOs

Info

ID:	262577
PubChem CID:	103301949
Reduced:	SO2N6C12H18 (1)
Stoich.:	AB2C6D12E18 (1)
Weight, g/mol:	329.0027
ΔH_f, kcal/mol:	7.19
Dipole, Da:	2.86
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methylphenyl)-(2,4,5-trifluorophenyl)methanamine

Drug info:

PubChemData

Smile

CCC1=NN(C=C1CNS(=O)(=O)C2=C(C=CC=N2)NN)C

DOS

IR

Vibrations