Geometry & MOs

Info

ID:	292808
PubChem CID:	117359216
Reduced:	NOH3C4 (3)
Stoich.:	ABC3D4 (3)
Weight, g/mol:	243.064391
ΔH_f, kcal/mol:	-2.38
Dipole, Da:	6.12
IP(EA), eV:	-9.33(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylbenzimidazol-4-yl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC2=C1C=C(C=C2)C3=NOC(=C3)C(=O)O

DOS

IR

Vibrations