Geometry & MOs

Info

ID:	18393
PubChem CID:	540184
Reduced:	ClN3O3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	333.088019
ΔH_f, kcal/mol:	-15.17
Dipole, Da:	3.49
IP(EA), eV:	-9.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5-tetrahydropyridin-6-ylamino) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ONC3=NCCCC3

DOS

IR

Vibrations