Geometry & MOs

Info

ID:	224592
PubChem CID:	85345157
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	268.24023
ΔH_f, kcal/mol:	14.51
Dipole, Da:	0.78
IP(EA), eV:	-8.6(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-4a,8,8-trimethyl-3-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

C1CC2CC3(C4CCCN4CN3C2C1)C5=CC=CC=C5

DOS

IR

Vibrations