Geometry & MOs

Info

ID:	170105
PubChem CID:	75197571
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	-69.15
Dipole, Da:	6.89
IP(EA), eV:	-9.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[(4-nitrophenoxy)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)COC2=CC=CC=C2C#N

DOS

IR

Vibrations