Geometry & MOs

Info

ID:	138446
PubChem CID:	52368386
Reduced:	O2N3C19H34 (1)
Stoich.:	A2B3C19D34 (1)
Weight, g/mol:	335.257277
ΔH_f, kcal/mol:	-80.61
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755002
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](C[NH+](C1)C(C)(C)CNC(=O)C2=C(ON=C2C)C(C)C)C

DOS

IR

Vibrations