Geometry & MOs

Info

ID:	218401
PubChem CID:	85089386
Reduced:	N2O3C29H38 (1)
Stoich.:	A2B3C29D38 (1)
Weight, g/mol:	462.316536
ΔH_f, kcal/mol:	-131.37
Dipole, Da:	1.68
IP(EA), eV:	-8.82(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylpropyl]phenyl]-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(CC1CCCCC1)N(C)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations