Geometry & MOs

Info

ID:	151115
PubChem CID:	53790813
Reduced:	O2N3H5C6 (1)
Stoich.:	A2B3C5D6 (1)
Weight, g/mol:	385.985209
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	1.32
IP(EA), eV:	-9.67(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[9-chloro-6-(trifluoromethylsulfonyl)-3-tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8,11-hexaenyl]tetrazole

Drug info:

PubChemData

Smile

C1C(=O)NC2=CN=CN=C2O1

DOS

IR

Vibrations