Geometry & MOs

Info

ID:	190473
PubChem CID:	78009687
Reduced:	F3N4O6C30H37 (1)
Stoich.:	A3B4C6D30E37 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	-379.3
Dipole, Da:	7.42
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C5=C(CN(CC5)CCCC(F)(F)F)C(=C4C(=C3C(=O)C2C(=O)C(=C1O)C(=O)N)O)O)N(C)C

DOS

IR

Vibrations