Geometry & MOs

Info

ID:	445154
PubChem CID:	135264688
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	192.137497
ΔH_f, kcal/mol:	-41.14
Dipole, Da:	6.07
IP(EA), eV:	-8.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclooctyl-1,2,4,5-tetrazine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NCCN/C=C\2/C=C(C=CC2=O)Cl)O

DOS

IR

Vibrations