Geometry & MOs

Info

ID:	127532
PubChem CID:	51005148
Reduced:	NO7C19H29 (1)
Stoich.:	AB7C19D29 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-351.91
Dipole, Da:	2.72
IP(EA), eV:	-9.35(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,3S,4S)-3-phenyl-7-azabicyclo[2.2.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1C[C@H]([C@@H]2C(=O)[C@H]1CCN2C(=O)OC(C)(C)C)COC(=O)C

DOS

IR

Vibrations