Geometry & MOs

Info

ID:	24321
PubChem CID:	609322
Reduced:	NCl2F6H7C8 (1)
Stoich.:	AB2C6D7E8 (1)
Weight, g/mol:	300.985974
ΔH_f, kcal/mol:	-323.55
Dipole, Da:	1.36
IP(EA), eV:	-10.44(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dichloro-3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1C2C(C(C1Cl)NC2(C(F)(F)F)C(F)(F)F)Cl

DOS

IR

Vibrations