Geometry & MOs

Info

ID:	206232
PubChem CID:	80222116
Reduced:	ClON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	249.06689
ΔH_f, kcal/mol:	19.98
Dipole, Da:	3.96
IP(EA), eV:	-9.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloropyridin-2-yl)-6-propan-2-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)CC(C3=NC=C(C=C3)Cl)O

DOS

IR

Vibrations