Geometry & MOs

Info

ID:	418909
PubChem CID:	135107103
Reduced:	O2N7C19H29 (1)
Stoich.:	A2B7C19D29 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-22.31
Dipole, Da:	6.68
IP(EA), eV:	-8.43(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-amino-5-ethylpyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCC(CC3)C4=NN=C(N4C)CO

DOS

IR

Vibrations