Geometry & MOs

Info

ID:	274299
PubChem CID:	103808421
Reduced:	ClN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-119.77
Dipole, Da:	6.85
IP(EA), eV:	-8.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)NC(=O)[C@@H]2CCCCN2)Cl

DOS

IR

Vibrations