Geometry & MOs

Info

ID:	150759
PubChem CID:	53790455
Reduced:	ON3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	296.162374
ΔH_f, kcal/mol:	79.92
Dipole, Da:	3.58
IP(EA), eV:	-8.61(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-di(butan-2-yloxy)-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=C)C3=NC4=CC=CC=C4C3=C2)C5=NCCO5

DOS

IR

Vibrations