Geometry & MOs

Info

ID:	320473
PubChem CID:	126661315
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	344.109169
ΔH_f, kcal/mol:	57.98
Dipole, Da:	4.56
IP(EA), eV:	-10.09(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[1-[3-(6-chloropyridin-3-yl)-5-fluoro-2-methylphenyl]ethylidene]piperidin-2-one

Drug info:

PubChemData

Smile

C/C/1=C\C2=C(CCCCNC1=O)C(=CC(=C2)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations