Geometry & MOs

Info

ID:	285808
PubChem CID:	104133891
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	3.31
IP(EA), eV:	-9.51(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-propan-2-ylpyridin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)N2CCOC(C2)(C)C)Cl

DOS

IR

Vibrations