Geometry & MOs

Info

ID:	83962
PubChem CID:	49862928
Reduced:	F3N3O4C30H34 (1)
Stoich.:	A3B3C4D30E34 (1)
Weight, g/mol:	458.269319
ΔH_f, kcal/mol:	-279.25
Dipole, Da:	4.54
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)OC(F)(F)F)OCC)CN3CCC(CC3)NC(=O)C4=CN=CC(=C4)C

DOS

IR

Vibrations