Geometry & MOs

Info

ID:

325102

PubChem CID:

126680704

Reduced:

F3O3N7C23H26 (1)

Stoich.:

A3B3C7D23E26 (1)

Weight, g/mol:

527.264488

ΔHf, kcal/mol:

-182.26

Dipole, Da:

3.95

IP(EA), eV:

 -9.59(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[4-(2-cyclopropylmorpholine-4-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)COC2=NC(=NC(=N2)N3CCC(CC3)C4=NCC5=C4C=CC=N5)C(=O)NCC(F)(F)F

DOS

IR

Vibrations