Geometry & MOs

Info

ID:	45879
PubChem CID:	10518575
Reduced:	FNCl2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	304.05227
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	3.39
IP(EA), eV:	-9.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,3,3,3-pentafluoropropoxy)naphthalene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(N(C(=O)O1)C2=C(C=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations