Geometry & MOs

Info

ID:	232969
PubChem CID:	87577834
Reduced:	OAs2C8H20 (1)
Stoich.:	AB2C8D20 (1)
Weight, g/mol:	431.134202
ΔH_f, kcal/mol:	-20.37
Dipole, Da:	1.52
IP(EA), eV:	-8.08(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(5Z)-1-(1H-benzimidazol-2-yl)-5-pyrazol-3-ylidene-2H-triazol-4-yl]methoxy]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CCOC(C)([As](C)C)[As](C)C

DOS

IR

Vibrations