Geometry & MOs

Info

ID:	18845
PubChem CID:	548974
Reduced:	NOC7H9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	123.068414
ΔH_f, kcal/mol:	6.54
Dipole, Da:	4.35
IP(EA), eV:	-10.81(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxaspiro[2.4]heptane-2-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2(C1)C(O2)C#N

DOS

IR

Vibrations