Geometry & MOs

Info

ID:	787
PubChem CID:	3355
Reduced:	N2O3F6C17H21 (1)
Stoich.:	A2B3C6D17E21 (1)
Weight, g/mol:	415.145637
ΔH_f, kcal/mol:	-414.52
Dipole, Da:	9.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.102592
Charge, e:	1

Chem-info

IUPAC name:

[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]-(piperidin-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

C1CCNC(C1)C[NH2+]C(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F

DOS

IR

Vibrations