Geometry & MOs

Info

ID:	48297
PubChem CID:	10538705
Reduced:	ON3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	27.8
Dipole, Da:	2.93
IP(EA), eV:	-8.37(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,5R)-2-acetyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(=O)NC3=CC=CC=N3

DOS

IR

Vibrations