Geometry & MOs

Info

ID:	147099
PubChem CID:	53786752
Reduced:	ClN3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	717.09581
ΔH_f, kcal/mol:	30.76
Dipole, Da:	6.33
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(2-bromoprop-2-enyl)-2,4,6-trioxo-1,3-diazinan-5-yl]-2-methylbut-2-enyl] N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl)-N-methylcarbamate

Drug info:

PubChemData

Smile

C1CCCN(CC1)NC2=CN=C(C=C2)Cl

DOS

IR

Vibrations