Geometry & MOs

Info

ID:	28537
PubChem CID:	828205
Reduced:	OCl2N2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	310.087291
ΔH_f, kcal/mol:	9.11
Dipole, Da:	5.17
IP(EA), eV:	-9.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=O)C(=N2)[C@@H](C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations