Geometry & MOs

Info

ID:	48675
PubChem CID:	11110459
Reduced:	OCl2N5H11C14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	79.0
Dipole, Da:	3.61
IP(EA), eV:	-9.6(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,8S,11R)-5,11-dimethyl-4-aza-1-azoniatricyclo[6.3.1.04,12]dodec-1(12)-ene-5,11-diol;furan-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)/C(=C/2\C(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)[N+]#N)/[O-]

DOS

IR

Vibrations