Geometry & MOs

Info

ID:	418467
PubChem CID:	135104992
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	-101.99
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=C(C(=CC=C3)OC)C

DOS

IR

Vibrations