Geometry & MOs

Info

ID:	198292
PubChem CID:	79081340
Reduced:	ClFN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	306.104752
ΔH_f, kcal/mol:	-26.17
Dipole, Da:	5.09
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CCCN(C1=NC(=NC=C1F)Cl)C(C)C

DOS

IR

Vibrations