Geometry & MOs

Info

ID:	341044
PubChem CID:	127263479
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	8.43
IP(EA), eV:	-8.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-oxo-1-azaspiro[4.4]non-8-en-1-yl)benzonitrile

Drug info:

PubChemData

Smile

COCCN1CCCC2=C1N=C(S2)C(=O)O

DOS

IR

Vibrations