Geometry & MOs

Info

ID:	206333
PubChem CID:	80232813
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	323.097145
ΔH_f, kcal/mol:	-38.97
Dipole, Da:	1.06
IP(EA), eV:	-8.77(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4-methylthiophen-3-yl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC1=CSC=C1C(CC2CCOCC2)N

DOS

IR

Vibrations