Geometry & MOs

Info

ID:	262647
PubChem CID:	103304876
Reduced:	BrSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	217.107834
ΔH_f, kcal/mol:	-22.8
Dipole, Da:	5.43
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(2,4,5-trifluorophenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NS(=O)(=O)C2=C(C=CC=N2)NC

DOS

IR

Vibrations