Geometry & MOs

Info

ID:	410760
PubChem CID:	135083561
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	9.84
Dipole, Da:	3.13
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,5-bis(2-methylpropyl)-1,4-dioxaspiro[2.2]pentane

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)C(C#N)C(=O)N)C

DOS

IR

Vibrations