Geometry & MOs

Info

ID:	202396
PubChem CID:	79667097
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-42.56
Dipole, Da:	2.1
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one

Drug info:

PubChemData

Smile

CCN1CCOC(C1)C(=O)CC2=NC=NN2CC

DOS

IR

Vibrations