Geometry & MOs

Info

ID:	427649
PubChem CID:	135160945
Reduced:	FO3N8C26H31 (1)
Stoich.:	AB3C8D26E31 (1)
Weight, g/mol:	465.80986
ΔH_f, kcal/mol:	-6.01
Dipole, Da:	5.65
IP(EA), eV:	-8.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(2,5,6-tribromo-4-nitrobenzimidazol-1-yl)propanenitrile

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CC=NC2=C(N=C(C=C2)N(CC(=O)N3CCNCC3)C4=C(C(=CC(=C4)OC)OC)F)N=C

DOS

IR

Vibrations