Geometry & MOs

Info

ID:	324349
PubChem CID:	126677484
Reduced:	N2F3O3C21H33 (1)
Stoich.:	A2B3C3D21E33 (1)
Weight, g/mol:	361.186478
ΔH_f, kcal/mol:	-310.88
Dipole, Da:	4.88
IP(EA), eV:	-9.55(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,8R)-4-(3,3,3-trifluoropropanoyl)-4-azatricyclo[4.4.1.03,8]undecan-2-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC1CC(=NCC2CC2)C(N(C1)C(=O)CC(F)(F)F)C(C)OC(=O)C(C)(C)C

DOS

IR

Vibrations