Geometry & MOs

Info

ID:	436854
PubChem CID:	135212295
Reduced:	O3N8C21H28 (1)
Stoich.:	A3B8C21D28 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	4.73
Dipole, Da:	14.65
IP(EA), eV:	-9.06(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-5-ethylmorpholin-3-one

Drug info:

PubChemData

Smile

C[C@H]1CC2(CCC(CC2)N(C)CC3=NN=C(C=C3)N=CN=NN)C(=O)N1C4=CC(=O)OC4

DOS

IR

Vibrations