Geometry & MOs

Info

ID:	289092
PubChem CID:	104335442
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	241.09819
ΔH_f, kcal/mol:	8.41
Dipole, Da:	4.07
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(ethoxymethyl)-6-pyrrolidin-1-ylpyrimidine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations