Geometry & MOs

Info

ID:	394402
PubChem CID:	135022913
Reduced:	NOC23H27 (1)
Stoich.:	ABC23D27 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	3.71
IP(EA), eV:	-8.23(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene

Drug info:

PubChemData

Smile

C1CCC2(CC1)C[C@]3(CC(NC4=CC=CC=C43)C5=CC=CC=C5)OC2

DOS

IR

Vibrations