Geometry & MOs

Info

ID:	359810
PubChem CID:	127299854
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	9.79
Dipole, Da:	4.97
IP(EA), eV:	-8.68(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CC=CC=N2)N(C)CC3CCCOC3

DOS

IR

Vibrations