Geometry & MOs

Info

ID:	222671
PubChem CID:	85310111
Reduced:	ClOSnC17H31 (1)
Stoich.:	ABCD17E31 (1)
Weight, g/mol:	434.154997
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	5.11
IP(EA), eV:	-9.72(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,5-dinitrobenzoyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-3,11-dione

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(C=CCOC1CCCC=C1)Cl

DOS

IR

Vibrations