Geometry & MOs

Info

ID:	267674
PubChem CID:	103583886
Reduced:	BrClS2N3H5C8 (1)
Stoich.:	ABC2D3E5F8 (1)
Weight, g/mol:	369.927
ΔH_f, kcal/mol:	84.16
Dipole, Da:	2.55
IP(EA), eV:	-9.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3-bromopropyl)-3-chloro-N-propan-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NSC(=N1)SC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations