Geometry & MOs

Info

ID:	16109
PubChem CID:	459948
Reduced:	N9H19C21 (1)
Stoich.:	A9B19C21 (1)
Weight, g/mol:	397.176342
ΔH_f, kcal/mol:	160.55
Dipole, Da:	2.59
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1-methylpyrrol-2-yl]-3H-benzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

CN1C(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=N)N)C4=NC5=C(N4)C=C(C=C5)C(=N)N

DOS

IR

Vibrations