Geometry & MOs

Info

ID:	317224
PubChem CID:	126634471
Reduced:	O5F14H24C44 (1)
Stoich.:	A5B14C24D44 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-704.83
Dipole, Da:	7.62
IP(EA), eV:	-9.71(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentoxy]naphthalene

Drug info:

Smile

CC(C)C1=C(C(=C(C(=C1F)F)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)C4=C(C(=C(C(=C4F)F)OC5=CC=C(C=C5)C(C6=CC=C(C=C6)O)(C(F)(F)F)C(F)(F)F)F)F)F)F

DOS

IR

Vibrations