Geometry & MOs

Info

ID:

312846

PubChem CID:

126609203

Reduced:

ClO2N8C23H32 (1)

Stoich.:

AB2C8D23E32 (1)

Weight, g/mol:

501.249325

ΔHf, kcal/mol:

-19.78

Dipole, Da:

4.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.858991

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)C(=O)N(C)CCCNC)[N+](=C1CNC(=O)C3=NC(=CN=C3N)Cl)CC

DOS

IR

Vibrations