Geometry & MOs

Info

ID:	217009
PubChem CID:	85087114
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	326.184172
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	3.84
IP(EA), eV:	-9.31(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-(2-oxohexylidene)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2C(NC2=O)C3C(C(=O)N3)OC4=CC=CC=C4

DOS

IR

Vibrations