Geometry & MOs

Info

ID:	392344
PubChem CID:	135014614
Reduced:	NO5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	206.110693
ΔH_f, kcal/mol:	-155.74
Dipole, Da:	5.31
IP(EA), eV:	-9.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aR)-6-fluoro-3,3,8a-trimethyl-2H-azulen-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OC3(C2=O)CC(=O)N(C3=O)C

DOS

IR

Vibrations