Geometry & MOs

Info

ID:

227185

PubChem CID:

87560490

Reduced:

NF4O4H63C68 (1)

Stoich.:

AB4C4D63E68 (1)

Weight, g/mol:

435.182792

ΔHf, kcal/mol:

-230.77

Dipole, Da:

6.67

IP(EA), eV:

 -8.52(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(2-cyclopentylethylamino)methyl]phenoxy]pyridine-2-carboxamide;methanesulfonic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC6=C(C=C5)C(C7=C6C8=C(C=C(C=C8)C(F)(F)F)C9=C7C=CC(O9)(C1=CC=C(C=C1)OCCCC)C1=CC=C(C=C1)F)(C)O

DOS

IR

Vibrations