Geometry & MOs

Info

ID:	182328
PubChem CID:	76875625
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	184.084792
ΔH_f, kcal/mol:	-150.87
Dipole, Da:	5.8
IP(EA), eV:	-9.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-oxopropyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1CCC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations