Geometry & MOs

Info

ID:	448304
PubChem CID:	135290012
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	352.158706
ΔH_f, kcal/mol:	-180.94
Dipole, Da:	1.81
IP(EA), eV:	-8.57(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-fluorophenyl)-3-[3-methoxy-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COCCOC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC

DOS

IR

Vibrations