Geometry & MOs

Info

ID:

321913

PubChem CID:

126667279

Reduced:

FO3N6C21H23 (1)

Stoich.:

AB3C6D21E23 (1)

Weight, g/mol:

493.203779

ΔHf, kcal/mol:

-76.75

Dipole, Da:

9.5

IP(EA), eV:

 -8.99(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]-4-(difluoromethoxy)-6-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

C1COC[C@H]([C@@H]1NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=CC=CC=C5)F)O

DOS

IR

Vibrations