Geometry & MOs

Info

ID:	150473
PubChem CID:	53790163
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	212.079707
ΔH_f, kcal/mol:	-86.57
Dipole, Da:	5.49
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diacetyl-6-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(=CC1=C(C=CC(=C1)OC)O)C(=O)OC2=CC=C(C=C2)C(=N)N

DOS

IR

Vibrations