Geometry & MOs

Info

ID:	284718
PubChem CID:	104064042
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	321.043567
ΔH_f, kcal/mol:	-60.14
Dipole, Da:	3.56
IP(EA), eV:	-8.22(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazol-4-amine

Drug info:

PubChemData

Smile

CCCOC1=C(N=CC=C1)N2CC(OCC2C)CN

DOS

IR

Vibrations