Geometry & MOs

Info

ID:	27416
PubChem CID:	821231
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	242.028062
ΔH_f, kcal/mol:	-156.78
Dipole, Da:	5.69
IP(EA), eV:	-9.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroethyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC(=O)C[C@H](C1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations