Geometry & MOs

Info

ID:	272777
PubChem CID:	103756792
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	242.064447
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	2.94
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(thian-4-ylmethyl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2CCCC(C2)OC)Br

DOS

IR

Vibrations