Geometry & MOs

Info

ID:	127364
PubChem CID:	51000331
Reduced:	O2N3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	16.81
Dipole, Da:	7.24
IP(EA), eV:	-10.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,6R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C=N1)[N+](=O)[O-]

DOS

IR

Vibrations