Geometry & MOs

Info

ID:	199
PubChem CID:	2281
Reduced:	ON8H14C17 (1)
Stoich.:	AB8C14D17 (1)
Weight, g/mol:	346.129057
ΔH_f, kcal/mol:	115.58
Dipole, Da:	3.87
IP(EA), eV:	-9.62(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-carbamimidoyl-1H-benzimidazole-2-carbonyl)-3H-benzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)NC(=N2)C(=O)C3=NC4=C(N3)C=C(C=C4)C(=N)N

DOS

IR

Vibrations