Geometry & MOs

Info

ID:	171003
PubChem CID:	75311290
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	316.088164
ΔH_f, kcal/mol:	-109.46
Dipole, Da:	4.58
IP(EA), eV:	-8.72(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidin-2-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CCC(=O)CC1CCC2N1C(CCC2)C(=O)CC

DOS

IR

Vibrations