Geometry & MOs

Info

ID:	129285
PubChem CID:	51072178
Reduced:	NOC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	2.05
IP(EA), eV:	-8.98(2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCNCC1)CO

DOS

IR

Vibrations