Geometry & MOs

Info

ID:	297473
PubChem CID:	117618612
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	445.155018
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	3.1
IP(EA), eV:	-9.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoropyridin-2-yl)-hydroxy-(5-methylpyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC=N1)(C(C)(C)C)O

DOS

IR

Vibrations