Geometry & MOs

Info

ID:	233079
PubChem CID:	87692390
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	304.082347
ΔH_f, kcal/mol:	21.13
Dipole, Da:	3.68
IP(EA), eV:	-9.58(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3,6-trifluoro-5-phenylphenyl)-4,5-dihydro-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1C(NC(=N1)C2=CC=CC=C2)C=O

DOS

IR

Vibrations