Geometry & MOs

Info

ID:	381802
PubChem CID:	134972632
Reduced:	NO6C26H35 (1)
Stoich.:	AB6C26D35 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-226.48
Dipole, Da:	3.93
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aR,6aR)-2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=CC(=C2O)CC/C=C(\[C@@H]1O)/C)O)OC)O

DOS

IR

Vibrations