Geometry & MOs

Info

ID:	283000
PubChem CID:	103952506
Reduced:	OSN3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	264.12224
ΔH_f, kcal/mol:	2.59
Dipole, Da:	3.53
IP(EA), eV:	-9.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1C(CNC1=O)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations