Geometry & MOs

Info

ID:	126975
PubChem CID:	50986416
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	281.123878
ΔH_f, kcal/mol:	-76.58
Dipole, Da:	2.79
IP(EA), eV:	-9.54(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-hydroxy-5-(trifluoromethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC1C2N

DOS

IR

Vibrations