Geometry & MOs

Info

ID:	171434
PubChem CID:	75377007
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-41.52
Dipole, Da:	3.81
IP(EA), eV:	-9.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(5-cyanopyridin-2-yl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)N2CCOCC2CC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations