Geometry & MOs

Info

ID:	408108
PubChem CID:	135080864
Reduced:	FN2O3C6H7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-139.74
Dipole, Da:	6.74
IP(EA), eV:	-9.18(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,9aS)-3-methoxy-4a-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-benzo[7]annulen-5-one

Drug info:

PubChemData

Smile

C(CC(=O)O)C1=C(N=C(N1)F)O

DOS

IR

Vibrations