Geometry & MOs

Info

ID:	225232
PubChem CID:	85752760
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-27.78
Dipole, Da:	2.02
IP(EA), eV:	-9.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-ethyl-N-(5-propyloxolan-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)NC2CCOC2)Cl

DOS

IR

Vibrations