Geometry & MOs

Info

ID:	79863
PubChem CID:	49830902
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	249.090212
ΔH_f, kcal/mol:	34.69
Dipole, Da:	3.14
IP(EA), eV:	-9.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-6-pyridin-4-yl-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CCC1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations