Geometry & MOs

Info

ID:	207965
PubChem CID:	80474685
Reduced:	BrNS2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	357.96546
ΔH_f, kcal/mol:	46.41
Dipole, Da:	3.62
IP(EA), eV:	-8.22(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophen-2-yl)-4-chloro-6-piperidin-1-yl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SCC(C2=C(C=CS2)Br)N

DOS

IR

Vibrations