Geometry & MOs

Info

ID:	425391
PubChem CID:	135126171
Reduced:	ION2F3H8C13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	453.988132
ΔH_f, kcal/mol:	-124.35
Dipole, Da:	4.61
IP(EA), eV:	-9.06(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=NC=CC(=C2)C(F)(F)F)I

DOS

IR

Vibrations