Geometry & MOs

Info

ID:	58750
PubChem CID:	24714813
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-100.71
Dipole, Da:	2.22
IP(EA), eV:	-8.74(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-4-oxo-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(CC2=CC=C(O2)C(C)(C)O)C(C)C

DOS

IR

Vibrations