Geometry & MOs

Info

ID:	243989
PubChem CID:	99309121
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-44.13
Dipole, Da:	3.2
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-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)CCC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations