Geometry & MOs

Info

ID:	303476
PubChem CID:	124489786
Reduced:	FNO4C28H32 (1)
Stoich.:	ABC4D28E32 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-192.92
Dipole, Da:	4.11
IP(EA), eV:	-8.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,3aS,6aS)-2-(hydroxymethyl)-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-3-ol

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2C(=C1/C=C\[C@H](CC(=O)CC(=O)OC(C)(C)C)O)C3=CC=C(C=C3)F

DOS

IR

Vibrations