Geometry & MOs

Info

ID:	238
PubChem CID:	2384
Reduced:	O2N8C17H18 (1)
Stoich.:	A2B8C17D18 (1)
Weight, g/mol:	366.155272
ΔH_f, kcal/mol:	86.79
Dipole, Da:	32.94
IP(EA), eV:	-5.26(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[amino-[2-[[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]-dihydroxymethyl]-3H-benzimidazol-5-yl]methylidene]azanium

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=[NH2+])N)NC(=N2)C(C3=NC4=C(N3)C=C(C=C4)C(=[NH2+])N)(O)O

DOS

IR

Vibrations