Geometry & MOs

Info

ID:	200753
PubChem CID:	79438533
Reduced:	FCl2N5H6C12 (1)
Stoich.:	AB2C5D6E12 (1)
Weight, g/mol:	264.066555
ΔH_f, kcal/mol:	69.48
Dipole, Da:	3.19
IP(EA), eV:	-9.91(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(N=C(N=C2Cl)C3=NC=NN3)Cl)F

DOS

IR

Vibrations