Geometry & MOs

Info

ID:	182808
PubChem CID:	76939668
Reduced:	ON2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	5.74
IP(EA), eV:	-9.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-6-(methoxymethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COCC1CC(=O)NC(N1)C2=NC=CC=N2

DOS

IR

Vibrations