Geometry & MOs

Info

ID:	386238
PubChem CID:	134981139
Reduced:	C9H13 (2)
Stoich.:	A9B13 (2)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	11.24
Dipole, Da:	0.76
IP(EA), eV:	-9.36(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,10aR)-9-methyl-2,3,3a,4,5a,6,7,9a,10,10a-decahydro-1H-benzo[f]azulen-5-one

Drug info:

PubChemData

Smile

CCCCCC/C=C/C1CC1(C)C2=CC=CC=C2

DOS

IR

Vibrations