Geometry & MOs

Info

ID:	285813
PubChem CID:	104133901
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-84.24
Dipole, Da:	3.86
IP(EA), eV:	-9.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butyl-6-chloropyridin-4-yl)-(3-ethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1COCCN1C(=O)C2=CC(=NC(=C2)Cl)C(C)C

DOS

IR

Vibrations