Geometry & MOs

Info

ID:	382742
PubChem CID:	134974068
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	282.201507
ΔH_f, kcal/mol:	-16.44
Dipole, Da:	5.49
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3a,4,5,6,6a-hexahydropentalen-1-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2[C@@H](NC2=O)C3=CC=CC=C3

DOS

IR

Vibrations