Geometry & MOs

Info

ID:	9430
PubChem CID:	89486
Reduced:	OC10H16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	-71.67
Dipole, Da:	3.74
IP(EA), eV:	-9.71(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)CCCC2=O

DOS

IR

Vibrations