Geometry & MOs

Info

ID:	324320
PubChem CID:	126677425
Reduced:	N3O4C29H35 (1)
Stoich.:	A3B4C29D35 (1)
Weight, g/mol:	377.217778
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	5.7
IP(EA), eV:	-8.75(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[7-methyl-3-(3,3,3-trifluoropropanoyl)-3-azabicyclo[3.3.1]nonan-2-yl]ethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)[C@@H]2CCN(C[C@H]2COC3=CC4=C(CNC4=O)C=C3)CCN5C=CC=C5

DOS

IR

Vibrations