Geometry & MOs

Info

ID:	313979
PubChem CID:	126619321
Reduced:	FN5C12H20 (1)
Stoich.:	AB5C12D20 (1)
Weight, g/mol:	335.952836
ΔH_f, kcal/mol:	-25.72
Dipole, Da:	6.35
IP(EA), eV:	-8.69(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3a,4,6-tetrakis(chloromethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

Drug info:

PubChemData

Smile

CC1(C=C(NC(=N1)N)N2CC3CCCNC3C2)F

DOS

IR

Vibrations