Geometry & MOs

Info

ID:	427659
PubChem CID:	135160998
Reduced:	FN6C28H37 (1)
Stoich.:	AB6C28D37 (1)
Weight, g/mol:	230.960232
ΔH_f, kcal/mol:	47.99
Dipole, Da:	3.08
IP(EA), eV:	-8.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-4-nitro-1H-benzimidazole

Drug info:

PubChemData

Smile

CCCC(=C)C(C)(C=C)C1=C(N=C(N=C1NC)C2=NN(C(=C2)CC(C)C)CC3=CC=CC=C3F)N

DOS

IR

Vibrations