Geometry & MOs

Info

ID:	243988
PubChem CID:	99309120
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	8.21
IP(EA), eV:	-8.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@H]2CCCN(C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

DOS

IR

Vibrations