Geometry & MOs

Info

ID:

321291

PubChem CID:

126665679

Reduced:

ClO2F4N4H23C28 (1)

Stoich.:

AB2C4D4E23F28 (1)

Weight, g/mol:

669.256289

ΔHf, kcal/mol:

-161.35

Dipole, Da:

5.51

IP(EA), eV:

 -9.32(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[5-[[3-[[[cyclopropyl-(4-phenylmethoxyphenyl)methyl]amino]methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylcarbamic acid

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=C(C=C4)Cl)C(F)(F)F)(C5=CC=CC=N5)O

DOS

IR

Vibrations