Geometry & MOs

Info

ID:	190671
PubChem CID:	78040011
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	248.214016
ΔH_f, kcal/mol:	-48.37
Dipole, Da:	3.89
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,3a,7a-tetrahydro-1H-inden-5-yl)octan-2-ol

Drug info:

PubChemData

Smile

CCCN(C)C(C#N)C1=C2C(=C(C=C1)OC)OC3C24CC4C(C3)O

DOS

IR

Vibrations