Geometry & MOs

Info

ID:	262833
PubChem CID:	103321668
Reduced:	ClOSN3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	308.061093
ΔH_f, kcal/mol:	3.71
Dipole, Da:	5.55
IP(EA), eV:	-8.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)Cl)NCC(C3CC3)O

DOS

IR

Vibrations