Geometry & MOs

Info

ID:	263010
PubChem CID:	103333662
Reduced:	S2N6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	304.121864
ΔH_f, kcal/mol:	104.85
Dipole, Da:	4.45
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC2=C3C=CSC3=NC(=N2)NN

DOS

IR

Vibrations