Geometry & MOs

Info

ID:	313126
PubChem CID:	126612090
Reduced:	NO3H23C42 (1)
Stoich.:	AB3C23D42 (1)
Weight, g/mol:	535.9722
ΔH_f, kcal/mol:	208.52
Dipole, Da:	2.91
IP(EA), eV:	-8.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,4-dibromo-6-methylphenyl)-1-N-[2-(fluoromethyl)phenyl]acenaphthylene-1,2-diimine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)OC6=C(N5C7=CC=CC#C7)C=C(C=C6)C8=CC9=C(C=C8)OC1=CC=CC=C19

DOS

IR

Vibrations