Geometry & MOs

Info

ID:	361348
PubChem CID:	127302657
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	397.227789
ΔH_f, kcal/mol:	-45.51
Dipole, Da:	2.63
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=NC=N2)N3CCC(CC3)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations