Geometry & MOs

Info

ID:	190366
PubChem CID:	77992825
Reduced:	ClN2O4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-168.63
Dipole, Da:	2.08
IP(EA), eV:	-9.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-(3-cyanofuran-2-carbonyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC(C1)CN(C2)C(=O)C3=CC=C(O3)Cl

DOS

IR

Vibrations