Geometry & MOs

Info

ID:	52717
PubChem CID:	12015761
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	181.146664
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	1.94
IP(EA), eV:	-8.96(2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,9R,13S)-3-oxa-1-azatricyclo[7.3.1.05,13]tridecane

Drug info:

PubChemData

Smile

C1C[C@H]2CCCN[C@H]2[C@@H](C1)CO

DOS

IR

Vibrations