Geometry & MOs

Info

ID:

379762

PubChem CID:

134464815

Reduced:

BrF2O3N6H49C52 (1)

Stoich.:

AB2C3D6E49F52 (1)

Weight, g/mol:

419.98967

ΔHf, kcal/mol:

-34.93

Dipole, Da:

10.27

IP(EA), eV:

 -8.72(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[amino-[4-bromo-3-[(3,5-difluorophenyl)methyl]phenyl]methylidene]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC(=O)N(C1CCOCC1)C2=C(C=CC(=C2)N3CCN(CC3)C)C(=O)NC4=NN(C5=C4C=C(C(=C5)Br)CC6=CC(=CC(=C6)F)F)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations