Geometry & MOs

Info

ID:	445236
PubChem CID:	135265357
Reduced:	N3H11F12C31 (1)
Stoich.:	A3B11C12D31 (1)
Weight, g/mol:	174.115698
ΔH_f, kcal/mol:	-309.7
Dipole, Da:	6.05
IP(EA), eV:	-10.11(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1F)F)/C(=C/2\C(=C(/C)\C3=C(C(=C(C(=C3F)F)CC#N)F)F)\C2=C(/C#N)\C4=C(C(=C(C(=C4F)F)C#N)F)F)/C)F)F

DOS

IR

Vibrations