Geometry & MOs

Info

ID:	220792
PubChem CID:	85239870
Reduced:	ClOF3H3N3C9 (1)
Stoich.:	ABC3D3E3F9 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	2.22
IP(EA), eV:	-10.07(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 12,12-dimethyl-4,5-diazatetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=CC2=NC(=CN=C21)N=O)Cl)C(F)(F)F

DOS

IR

Vibrations