Geometry & MOs

Info

ID:	262831
PubChem CID:	103321496
Reduced:	ClOSN3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	337.020724
ΔH_f, kcal/mol:	-11.09
Dipole, Da:	6.99
IP(EA), eV:	-8.77(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)(CO)NC2=C3C=CSC3=NC(=N2)Cl

DOS

IR

Vibrations