Geometry & MOs

Info

ID:	344462
PubChem CID:	127267638
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-31.47
Dipole, Da:	4.43
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCCC1C(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations