Geometry & MOs

Info

ID:	371463
PubChem CID:	127346513
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	44.29
Dipole, Da:	2.39
IP(EA), eV:	-9.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(oxolan-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CC=C2)C(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations