Geometry & MOs

Info

ID:	390172
PubChem CID:	134997551
Reduced:	CrO6H16C19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-115.8
Dipole, Da:	3.89
IP(EA), eV:	-7.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2S,5'S)-4',4'-diethyl-1',4,4-trimethyl-5'-(4-methylphenyl)spiro[1,3-oxazolidine-2,2'-3,6-dioxabicyclo[3.1.0]hexane]

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=CC=C2OC)C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations