Geometry & MOs

Info

ID:	181595
PubChem CID:	76764254
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	1.53
IP(EA), eV:	-9.02(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3R,3aR,6aS)-2-benzyl-3-hydroxy-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC2=C([C@H](O1)C)C(=CC=C2)O

DOS

IR

Vibrations