Geometry & MOs

Info

ID:	139278
PubChem CID:	52501964
Reduced:	ON4C25H36 (1)
Stoich.:	AB4C25D36 (1)
Weight, g/mol:	452.149598
ΔH_f, kcal/mol:	-22.59
Dipole, Da:	2.19
IP(EA), eV:	-8.68(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[4-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-nitrophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(=O)N[C@@H](CN(C)C2CCN(CC2)C)C3=CC=CC=C3)C

DOS

IR

Vibrations