Geometry & MOs

Info

ID:	318911
PubChem CID:	126653705
Reduced:	N2F3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-218.34
Dipole, Da:	8.56
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,2S,3R,6R,8S)-2-methyl-9-azatricyclo[4.3.1.03,8]decane-9-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[C@H]1C2CC3CC(C1N(C3)C(=O)CC(F)(F)F)N2CC4CC4

DOS

IR

Vibrations