Geometry & MOs

Info

ID:	312845
PubChem CID:	126609186
Reduced:	N6H18C25 (1)
Stoich.:	A6B18C25 (1)
Weight, g/mol:	487.233675
ΔH_f, kcal/mol:	172.74
Dipole, Da:	0.65
IP(EA), eV:	-9.54(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(3-amino-6-chloropyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-methyl-N-[3-(methylamino)propyl]benzimidazol-1-ium-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C2=CN=C(N=C2)C3=CC=CC=C3)C4=CN=C(N=C4)C5=CC=CC=C5

DOS

IR

Vibrations