Geometry & MOs

Info

ID:	3549
PubChem CID:	9780
Reduced:	NOH2C5F7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	225.002461
ΔH_f, kcal/mol:	-375.55
Dipole, Da:	2.02
IP(EA), eV:	-11.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane

Drug info:

PubChemData

Smile

C(C(C(C(F)(F)F)(F)F)(F)F)N=C=O

DOS

IR

Vibrations