Geometry & MOs

Info

ID:	320491
PubChem CID:	126661384
Reduced:	NC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	325.147807
ΔH_f, kcal/mol:	59.38
Dipole, Da:	3.68
IP(EA), eV:	-8.0(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[3-(4-fluorophenyl)-5-methoxy-2-methylphenyl]methylidene]piperidin-2-one

Drug info:

PubChemData

Smile

C/C=C\C=C(/C)\C(=N/C(=C\C)/C(=C)NC1=CC=CC=C1C)C

DOS

IR

Vibrations