Geometry & MOs

Info

ID:	37163
PubChem CID:	8017701
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	346.10842
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	7.44
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-diethylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)[C@@H](C)OC(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations