Geometry & MOs

Info

ID:	216162
PubChem CID:	85085817
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-70.99
Dipole, Da:	2.15
IP(EA), eV:	-10.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(hydroxymethyl)-3-bicyclo[3.1.0]hexanyl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)COC1CC(C1(C#N)C#N)C(=O)OC

DOS

IR

Vibrations