Geometry & MOs

Info

ID:	179641
PubChem CID:	76514829
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	298.189257
ΔH_f, kcal/mol:	-126.49
Dipole, Da:	4.36
IP(EA), eV:	-9.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-tert-butyl-3-methyl-2-oxo-5-propan-2-ylmorpholine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCC(=O)NC(CCC(=O)O)C(=O)N

DOS

IR

Vibrations