Geometry & MOs

Info

ID:	47747
PubChem CID:	10535040
Reduced:	ON5C6H7 (1)
Stoich.:	AB5C6D7 (1)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	90.26
Dipole, Da:	5.44
IP(EA), eV:	-9.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5S,7S)-4,5-dimethyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene

Drug info:

PubChemData

Smile

CONC=N/C(=C(/C#N)\N)/C#N

DOS

IR

Vibrations