Geometry & MOs

Info

ID:	262845
PubChem CID:	103322702
Reduced:	ClOSN3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	293.050194
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	5.51
IP(EA), eV:	-8.84(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)Cl)NCC(C)OC

DOS

IR

Vibrations