Geometry & MOs

Info

ID:	243992
PubChem CID:	99309125
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-95.08
Dipole, Da:	3.27
IP(EA), eV:	-8.71(-0.11)
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-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations