Geometry & MOs

Info

ID:	287063
PubChem CID:	104231742
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	6.78
IP(EA), eV:	-9.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2C=NC(=N2)C(=O)OC)O

DOS

IR

Vibrations