Geometry & MOs

Info

ID:	351366
PubChem CID:	127280254
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-86.62
Dipole, Da:	7.72
IP(EA), eV:	-9.07(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCCC(C3)CC4=NOC(=N4)C

DOS

IR

Vibrations