Geometry & MOs

Info

ID:	381987
PubChem CID:	134972881
Reduced:	ClNC9H18 (1)
Stoich.:	ABC9D18 (1)
Weight, g/mol:	252.20893
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	5.87
IP(EA), eV:	-9.61(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7S,10aR)-3a,4,7-trimethyl-3,4,5,6,6a,8,9,10-octahydro-2H-benzo[h][1]benzofuran-7-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C1=CCCCC1)[NH3+].[Cl-]

DOS

IR

Vibrations