Geometry & MOs

Info

ID:	400520
PubChem CID:	135048183
Reduced:	NO2F3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	434.285307
ΔH_f, kcal/mol:	-101.92
Dipole, Da:	6.94
IP(EA), eV:	-9.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[bis(5-cyanopentyl)boranyl]-7-(3-nitrophenyl)heptanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\[N+](=O)[O-])/C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations