Geometry & MOs

Info

ID:	348021
PubChem CID:	127273083
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	384.26376
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	1.95
IP(EA), eV:	-9.04(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-5-[[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCC(CC2)OC3CCCCC3

DOS

IR

Vibrations