Geometry & MOs

Info

ID:	320493
PubChem CID:	126661418
Reduced:	NOCl2F3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	341.153955
ΔH_f, kcal/mol:	-203.34
Dipole, Da:	5.36
IP(EA), eV:	-9.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[1-[5-fluoro-3-(2-methoxypyrimidin-5-yl)-2-methylphenyl]ethylidene]piperidin-2-one

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C(\C)/C1=CC(=CC(=C1C)C2=CC(=C(C=C2)Cl)C(F)(F)F)Cl)/C

DOS

IR

Vibrations