Geometry & MOs

Info

ID:	148735
PubChem CID:	53788404
Reduced:	COH3N3 (2)
Stoich.:	ABC3D3 (2)
Weight, g/mol:	380.194029
ΔH_f, kcal/mol:	74.84
Dipole, Da:	1.98
IP(EA), eV:	-8.69(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[2-(4-methylphenyl)ethynyl]-1-[2-(4-pentylphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

C1(NN(C(=NN1[O-])N)[O-])N

DOS

IR

Vibrations