Geometry & MOs

Info

ID:	307611
PubChem CID:	125307741
Reduced:	FN3O3H8C11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	456.171689
ΔH_f, kcal/mol:	-112.35
Dipole, Da:	6.23
IP(EA), eV:	-10.5(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzhydrylpiperazin-1-yl)-6-(4-chlorophenyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N[C@H]2C=NC(=O)NC2=O)F

DOS

IR

Vibrations