Geometry & MOs

Info

ID:	413940
PubChem CID:	135086891
Reduced:	PWO5C9H11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	182.167065
ΔH_f, kcal/mol:	2.07
Dipole, Da:	0.89
IP(EA), eV:	-7.15(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R,8S)-8-methyl-5-propan-2-yl-1-oxaspiro[3.5]nonane

Drug info:

PubChemData

Smile

CC(C)(C)P.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

DOS

IR

Vibrations