Geometry & MOs

Info

ID:	285811
PubChem CID:	104133899
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	3.62
IP(EA), eV:	-9.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-propylpyridin-4-yl)-(3-ethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=C1)C(=O)N(C)C2CCOCC2)Cl

DOS

IR

Vibrations