Geometry & MOs

Info

ID:	262842
PubChem CID:	103322146
Reduced:	ClOSN3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	299.085911
ΔH_f, kcal/mol:	-28.41
Dipole, Da:	7.01
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)Cl)NCC(CC)CCO

DOS

IR

Vibrations