Geometry & MOs

Info

ID:	190367
PubChem CID:	77992826
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-130.11
Dipole, Da:	6.44
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-(5-methylfuran-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=C(C=CO3)C#N

DOS

IR

Vibrations