Geometry & MOs

Info

ID:

443919

PubChem CID:

135260526

Reduced:

OF4N6H18C27 (1)

Stoich.:

AB4C6D18E27 (1)

Weight, g/mol:

454.236021

ΔHf, kcal/mol:

-35.06

Dipole, Da:

4.67

IP(EA), eV:

 -8.57(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC2=NC=C(N2C(=C1)OC3=CC=C(C=C3)C4=CN(N=C4)C(F)F)C5=CC=C(C=C5)C6=CN(N=C6)C(F)F

DOS

IR

Vibrations