Geometry & MOs

Info

ID:	262846
PubChem CID:	103322743
Reduced:	ClSN5C12H12 (1)
Stoich.:	ABC5D12E12 (1)
Weight, g/mol:	307.065844
ΔH_f, kcal/mol:	93.43
Dipole, Da:	5.82
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCNC2=C3C=CSC3=NC(=N2)Cl

DOS

IR

Vibrations