Geometry & MOs

Info

ID:	445274
PubChem CID:	135265747
Reduced:	F2O3N5C24H29 (1)
Stoich.:	A2B3C5D24E29 (1)
Weight, g/mol:	454.200491
ΔH_f, kcal/mol:	-171.77
Dipole, Da:	4.51
IP(EA), eV:	-9.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-ethyl-5-[6-(5-phenyl-1H-imidazol-2-yl)pyridin-3-yl]pyridin-2-yl]oxymethyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(COC1=NC=C(C=C1)C2=CC=C(C=C2)/C(=N/C(=NC)N3CCC(CC3)(F)F)/N)C(=O)O

DOS

IR

Vibrations