Geometry & MOs

Info

ID:	262823
PubChem CID:	103321027
Reduced:	ClOSN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	323.005074
ΔH_f, kcal/mol:	41.49
Dipole, Da:	6.04
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)NC2=C3C=CSC3=NC(=N2)Cl

DOS

IR

Vibrations