Geometry & MOs

Info

ID:	243462
PubChem CID:	99224143
Reduced:	F3O3N4C20H23 (1)
Stoich.:	A3B3C4D20E23 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-220.8
Dipole, Da:	1.99
IP(EA), eV:	-9.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)[C@@H](C)C(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations