Geometry & MOs

Info

ID:

378933

PubChem CID:

134228450

Reduced:

ClFO3N7C26H33 (1)

Stoich.:

ABC3D7E26F33 (1)

Weight, g/mol:

517.241308

ΔHf, kcal/mol:

-122.25

Dipole, Da:

4.15

IP(EA), eV:

 -8.94(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-1-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidin-4-yl]-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(CCC1)N2C(=C(C(=N2)C3=CN(N=C3)CC4=C(C(=CC=C4)F)Cl)C(=O)N)N

DOS

IR

Vibrations