Geometry & MOs

Info

ID:	202712
PubChem CID:	79712700
Reduced:	SBr2N2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	222.153227
ΔH_f, kcal/mol:	60.68
Dipole, Da:	3.35
IP(EA), eV:	-8.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-2-yl)-3-methyl-N-propan-2-ylbut-3-en-1-amine

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)Br)N)CC2=CSC(=C2)Br

DOS

IR

Vibrations