Geometry & MOs

Info

ID:	232529
PubChem CID:	87576375
Reduced:	ON2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	404.083135
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	5.82
IP(EA), eV:	-9.33(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-[1-oxo-3-[6-(trifluoromethyl)pyridin-3-yl]propan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1C)C=O)C

DOS

IR

Vibrations