Geometry & MOs

Info

ID:	46181
PubChem CID:	10522850
Reduced:	NO6C19H27 (1)
Stoich.:	AB6C19D27 (1)
Weight, g/mol:	365.183838
ΔH_f, kcal/mol:	-210.9
Dipole, Da:	2.48
IP(EA), eV:	-8.41(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,7S,8S,9S)-4,4,11,11-tetramethyl-8-(phenylmethoxyamino)-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-ol

Drug info:

PubChemData

Smile

CCOC(=O)CCC1(/C(=N/OC)/CCCC2=C1C=CC(=C2OC)OC)O

DOS

IR

Vibrations