Geometry & MOs

Info

ID:	16116
PubChem CID:	459984
Reduced:	ON3C13H14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	456.227374
ΔH_f, kcal/mol:	39.42
Dipole, Da:	4.77
IP(EA), eV:	-8.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]-3H-benzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=N)N)OCCCCCOC4=CC=C(C=C4)C(=N)N

DOS

IR

Vibrations