Geometry & MOs

Info

ID:	298546
PubChem CID:	117650956
Reduced:	NO3C23H35 (1)
Stoich.:	AB3C23D35 (1)
Weight, g/mol:	392.11511
ΔH_f, kcal/mol:	-173.41
Dipole, Da:	4.48
IP(EA), eV:	-8.58(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(4-tert-butylcyclohexyl)oxy-1-(fluoromethyl)naphthalene

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)OC2=CC3=C(CN(CC3)C(=O)OC(C)(C)C)C=C2

DOS

IR

Vibrations