Geometry & MOs

Info

ID:

321914

PubChem CID:

126667283

Reduced:

F2O2N7C25H25 (1)

Stoich.:

A2B2C7D25E25 (1)

Weight, g/mol:

568.21805

ΔHf, kcal/mol:

-21.49

Dipole, Da:

6.2

IP(EA), eV:

 -8.25(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(difluoromethoxy)-2-[4-(dimethylamino)piperidin-1-yl]-5-[[4-(1-methylthieno[3,2-c]pyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCCC12CN(C2)C3=CC(=C(C=C3N)NC4=NC=CC(=N4)C5=NOC6=CC=CC=C65)OC(F)F

DOS

IR

Vibrations