Geometry & MOs

Info

ID:	312287
PubChem CID:	126604132
Reduced:	N5O5C20H29 (1)
Stoich.:	A5B5C20D29 (1)
Weight, g/mol:	326.05286
ΔH_f, kcal/mol:	-87.5
Dipole, Da:	4.27
IP(EA), eV:	-9.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,1-difluoroethyl)-2,2,3,3,4,5,5,6,6-nonafluoroheptane

Drug info:

PubChemData

Smile

CCCCOC1=NC(=C(C(=N1)N(C/C(=C/C=C\C)/C=C)CC(=O)OCC)[N+](=O)[O-])N

DOS

IR

Vibrations