Geometry & MOs

Info

ID:	320445
PubChem CID:	126661045
Reduced:	N4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	352.195092
ΔH_f, kcal/mol:	133.22
Dipole, Da:	2.52
IP(EA), eV:	-8.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[1-[3-[4-(dimethylamino)phenyl]-5-fluoro-2-methylphenyl]ethylidene]piperidin-2-one

Drug info:

PubChemData

Smile

C1C(N=CN1C2=C3CC(=NC=C2)NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations