Geometry & MOs

Info

ID:	77824
PubChem CID:	49661636
Reduced:	FO3N4H27C28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	499.221954
ΔH_f, kcal/mol:	-77.21
Dipole, Da:	2.15
IP(EA), eV:	-9.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations