Geometry & MOs

Info

ID:

313347

PubChem CID:

126614037

Reduced:

OF4N6C27H28 (1)

Stoich.:

AB4C6D27E28 (1)

Weight, g/mol:

530.205337

ΔHf, kcal/mol:

-137.84

Dipole, Da:

3.89

IP(EA), eV:

 -9.3(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl] N-[[4-(aminomethyl)-3-fluoro-2-methylphenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CNC(=O)C2=CN(N=C2C(F)(F)F)CC3=CC=C(C=C3)CN4C=C(C=N4)C)C)F)CN

DOS

IR

Vibrations