Geometry & MOs

Info

ID:	262909
PubChem CID:	103329126
Reduced:	S2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	303.126615
ΔH_f, kcal/mol:	21.4
Dipole, Da:	3.22
IP(EA), eV:	-8.15(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NCC)NCC3CCCS3

DOS

IR

Vibrations