Geometry & MOs

Info

ID:	125020
PubChem CID:	50907463
Reduced:	ClON6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	59.69
Dipole, Da:	6.25
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol

Drug info:

PubChemData

Smile

C1COCCN1CCN2C3=CC=CC=C3CN4C2=NC5=C4N=CN=C5Cl

DOS

IR

Vibrations