Geometry & MOs

Info

ID:	304266
PubChem CID:	124500400
Reduced:	ClN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	272.129156
ΔH_f, kcal/mol:	-92.09
Dipole, Da:	2.16
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chlorohexanamide

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)NC1=NC=C(O1)C(C)(C)C)Cl

DOS

IR

Vibrations