Geometry & MOs

Info

ID:	344463
PubChem CID:	127267639
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-4.86
Dipole, Da:	4.26
IP(EA), eV:	-8.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylpiperidin-3-yl)-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations