Geometry & MOs

Info

ID:	349776
PubChem CID:	127276168
Reduced:	N2O2C15H28 (1)
Stoich.:	A2B2C15D28 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	3.79
IP(EA), eV:	-8.74(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)N1CCCN(CC1)C(=O)C2CCCOC2

DOS

IR

Vibrations