Geometry & MOs

Info

ID:	201024
PubChem CID:	79476258
Reduced:	SN2F3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	352.06088
ΔH_f, kcal/mol:	-137.89
Dipole, Da:	3.73
IP(EA), eV:	-9.1(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)C(CN)C(F)(F)F

DOS

IR

Vibrations