Geometry & MOs

Info

ID:	264255
PubChem CID:	103446817
Reduced:	ClN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-88.41
Dipole, Da:	2.8
IP(EA), eV:	-8.99(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylbenzimidazol-2-yl)-3-hydroxy-3-methylpentan-2-one

Drug info:

PubChemData

Smile

CCC(C)(C(=O)CC1=C(C(=NN1CC)C)Cl)O

DOS

IR

Vibrations