Geometry & MOs

Info

ID:

327116

PubChem CID:

126689030

Reduced:

OF3N5H28C35 (1)

Stoich.:

AB3C5D28E35 (1)

Weight, g/mol:

548.204668

ΔHf, kcal/mol:

-3.93

Dipole, Da:

3.7

IP(EA), eV:

 -9.09(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl) 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=CC=C4)NC(=O)C5=CC(=NN5C6=CC=CC(=C6)C#N)C(F)(F)F

DOS

IR

Vibrations