Geometry & MOs

Info

ID:	372811
PubChem CID:	131305197
Reduced:	ON3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	38.21
Dipole, Da:	5.06
IP(EA), eV:	-9.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxyspiro[2.6]nonane-9-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(NC(=NC1=O)C2CC2)C#N

DOS

IR

Vibrations