Geometry & MOs

Info

ID:	366921
PubChem CID:	127321846
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	7.65
IP(EA), eV:	-9.15(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-azaspiro[5.5]undec-9-en-2-yl)-1-oxopropan-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations