Geometry & MOs

Info

ID:	295358
PubChem CID:	117527278
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-62.45
Dipole, Da:	3.07
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-methyl-2-(2-methylpropyl)benzimidazol-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CCO)N=C1C3CCOCC3

DOS

IR

Vibrations