Geometry & MOs

Info

ID:	262818
PubChem CID:	103320031
Reduced:	ClOSN3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	298.054277
ΔH_f, kcal/mol:	-11.57
Dipole, Da:	5.11
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(2,6-dimethyloxan-4-yl)oxythieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)Cl)OCCN(CC)CC

DOS

IR

Vibrations