Geometry & MOs

Info

ID:	165764
PubChem CID:	74594528
Reduced:	NO2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-38.14
Dipole, Da:	1.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.861373
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-(4-carbamoylpiperidin-1-yl)ethyl]-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)[O-])N=CCC1=CC=CC=C1

DOS

IR

Vibrations