Geometry & MOs

Info

ID:	394661
PubChem CID:	135023453
Reduced:	H7C10 (2)
Stoich.:	A7B10 (2)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	201.22
Dipole, Da:	0.85
IP(EA), eV:	-7.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-2,3,3a,4,6,7,8,9-octahydro-1H-benzo[f]azulen-5-one

Drug info:

PubChemData

Smile

C1=CC/2=CC=C1/C=C\C3=CC4=C(C=C3)C=CC(=C4)/C=C2

DOS

IR

Vibrations