Geometry & MOs

Info

ID:	262829
PubChem CID:	103321316
Reduced:	ClOSN4C13H13 (1)
Stoich.:	ABCD4E13F13 (1)
Weight, g/mol:	311.085911
ΔH_f, kcal/mol:	54.11
Dipole, Da:	3.13
IP(EA), eV:	-9.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)Cl)NCC3=CC(=NO3)C

DOS

IR

Vibrations