Geometry & MOs

Info

ID:	326479
PubChem CID:	126687645
Reduced:	NF2O2C25H25 (1)
Stoich.:	AB2C2D25E25 (1)
Weight, g/mol:	493.977485
ΔH_f, kcal/mol:	-114.57
Dipole, Da:	5.0
IP(EA), eV:	-8.31(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8,8a-hexadecafluoro-7-(trifluoromethyl)-1H-naphthalene

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H]([C@H](C1)OCC2=CC=CC=C2)O)N(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations