Geometry & MOs

Info

ID:	426458
PubChem CID:	135144295
Reduced:	Cl2O2N4C9H12 (1)
Stoich.:	A2B2C4D9E12 (1)
Weight, g/mol:	408.094683
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	2.36
IP(EA), eV:	-8.97(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1H-benzimidazole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NC2=C(N1)C=C(C=C2)NN.Cl.Cl

DOS

IR

Vibrations