Geometry & MOs

Info

ID:	285812
PubChem CID:	104133900
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	-84.57
Dipole, Da:	3.47
IP(EA), eV:	-9.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-propan-2-ylpyridin-4-yl)-(3-ethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)N2CCOCC2CC)Cl

DOS

IR

Vibrations