Geometry & MOs

Info

ID:	52713
PubChem CID:	12015752
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	2.15
IP(EA), eV:	-9.68(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7R,8aR)-7-ethenyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

C=CCC([C@@H]1C[C@H]2CC[C@@H]1C=C2)O

DOS

IR

Vibrations