Geometry & MOs

Info

ID:	372081
PubChem CID:	131293015
Reduced:	NOF3H4C7 (1)
Stoich.:	ABC3D4E7 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	-140.49
Dipole, Da:	3.53
IP(EA), eV:	-10.8(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-piperazin-1-yl-5-propan-2-ylpyrimidine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1F)C(=O)C(F)F

DOS

IR

Vibrations