Geometry & MOs

Info

ID:	15105
PubChem CID:	429653
Reduced:	Cl2N2O6C13H24 (1)
Stoich.:	A2B2C6D13E24 (1)
Weight, g/mol:	374.101142
ΔH_f, kcal/mol:	-222.78
Dipole, Da:	5.43
IP(EA), eV:	-8.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane;2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

C1C[N+]2(CC[N+]1(C2)CCCl)CCCl.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations