Geometry & MOs

Info

ID:	14040
PubChem CID:	402061
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	34.53
Dipole, Da:	4.79
IP(EA), eV:	-8.78(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1H-benzimidazol-2-yl)anilino]diazenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)N=NNC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations