Geometry & MOs

Info

ID:	399536
PubChem CID:	135040780
Reduced:	IH9C10 (1)
Stoich.:	AB9C10 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	68.2
Dipole, Da:	1.76
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4aS,8aS)-4a-ethenyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol

Drug info:

PubChemData

Smile

C=CC(=C)C1=CC=C(C=C1)I

DOS

IR

Vibrations