Geometry & MOs

Info

ID:	356850
PubChem CID:	127292442
Reduced:	OF2N6C16H26 (1)
Stoich.:	AB2C6D16E26 (1)
Weight, g/mol:	375.201888
ΔH_f, kcal/mol:	-110.76
Dipole, Da:	2.25
IP(EA), eV:	-8.46(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NCC3=NC=CN3C(F)F

DOS

IR

Vibrations