Geometry & MOs

Info

ID:	133527
PubChem CID:	51540104
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	405.265437
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	8.11
IP(EA), eV:	-9.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)[C@H](C)NC(=O)C[C@H](C2=CC=C(C=C2)Cl)NC(=O)C

DOS

IR

Vibrations