Geometry & MOs

Info

ID:

170554

PubChem CID:

75251064

Reduced:

BrN3H24C26 (2)

Stoich.:

AB3C24D26 (2)

Weight, g/mol:

555.31333

ΔHf, kcal/mol:

471.79

Dipole, Da:

44.58

IP(EA), eV:

 -5.36(-3.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,5-difluorophenyl)-1-[5-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-2-yl]piperidin-3-amine

Drug info:

PubChemData

Smile

C1CCC2C(C1)N=CC3=CC=C(C=C3)N(C4=CC=C(C=C4)C=NC5CCCCC5N=CC6=CC=C(C=C6)N(C7=CC=C(C=C7)C=N2)C8=CC=C(C=C8)Br)C9=CC=C(C=C9)Br

DOS

IR

Vibrations