Geometry & MOs

Info

ID:	391297
PubChem CID:	135004191
Reduced:	CrN2Cl3O6H13C16 (1)
Stoich.:	AB2C3D6E13F16 (1)
Weight, g/mol:	222.107606
ΔH_f, kcal/mol:	-69.08
Dipole, Da:	3.05
IP(EA), eV:	-7.42(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NC=C1C(=[Cr])OC)C(Cl)(Cl)Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations