Geometry & MOs

Info

ID:	328661
PubChem CID:	126726347
Reduced:	O3N4H24C27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	419.200905
ΔH_f, kcal/mol:	6.91
Dipole, Da:	3.45
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-ethyl-2-[(3-fluoropyridin-2-yl)-hydroxy-(4-methylphenyl)methyl]benzimidazol-5-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)C(=O)NC)N=C1C(C3=CC=CC=C3)(C4=CC=CC(=C4)C5=NC=CO5)O

DOS

IR

Vibrations