Geometry & MOs

Info

ID:	366886
PubChem CID:	127321788
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	299.155515
ΔH_f, kcal/mol:	60.22
Dipole, Da:	2.71
IP(EA), eV:	-9.17(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-methyl-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC3=C2C=CC=N3)C(=O)N4CCCC5(C4)CCC=CC5

DOS

IR

Vibrations