Geometry & MOs

Info

ID:	123418
PubChem CID:	50846563
Reduced:	ClON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	23.06
Dipole, Da:	8.79
IP(EA), eV:	-8.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CN3C(=NN=C3C(C)C)C=C2)Cl

DOS

IR

Vibrations