Geometry & MOs

Info

ID:	126738
PubChem CID:	50976017
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	306.072137
ΔH_f, kcal/mol:	51.97
Dipole, Da:	4.24
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2C=NC(=C2C3=CC=C(O3)C)C4=CC=CC=C4

DOS

IR

Vibrations