Geometry & MOs

Info

ID:	202554
PubChem CID:	79686776
Reduced:	N2O2F3H7C11 (1)
Stoich.:	A2B2C3D7E11 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-182.06
Dipole, Da:	9.57
IP(EA), eV:	-9.73(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)benzonitrile

Drug info:

PubChemData

Smile

C1COC(=O)N1C2=CC(=C(C=C2)C#N)C(F)(F)F

DOS

IR

Vibrations