Geometry & MOs

Info

ID:	407241
PubChem CID:	135079633
Reduced:	OC10H10 (3)
Stoich.:	AB10C10 (3)
Weight, g/mol:	349.221309
ΔH_f, kcal/mol:	-22.34
Dipole, Da:	2.64
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-2,2,3,3,7-pentamethyl-6,9-diphenyl-1,4-dioxa-6-azonia-5-boranuidaspiro[4.4]non-6-ene

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(C)(C#C)C1=C(C=CC(=C1)C2=CC=CC=C2)OC/C=C/C3=CC=CC=C3

DOS

IR

Vibrations