Geometry & MOs

Info

ID:

173146

PubChem CID:

75603863

Reduced:

FN7O8C44H52 (1)

Stoich.:

AB7C8D44E52 (1)

Weight, g/mol:

481.162469

ΔHf, kcal/mol:

-313.45

Dipole, Da:

9.54

IP(EA), eV:

 -9.11(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)N4CCC(CC4)C5=NOC6=C5C=CC(=C6)F

DOS

IR

Vibrations