Geometry & MOs

Info

ID:	262705
PubChem CID:	103310147
Reduced:	NO2F6C11H15 (1)
Stoich.:	AB2C6D11E15 (1)
Weight, g/mol:	304.101032
ΔH_f, kcal/mol:	-424.34
Dipole, Da:	8.2
IP(EA), eV:	-10.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCO)C(=O)C(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations