Geometry & MOs

Info

ID:

379494

PubChem CID:

134436617

Reduced:

O2N7H25C26 (1)

Stoich.:

A2B7C25D26 (1)

Weight, g/mol:

570.195773

ΔHf, kcal/mol:

96.75

Dipole, Da:

5.87

IP(EA), eV:

 -8.27(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-chloro-4-[6-[6-[[6-(difluoromethoxy)pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CCOC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4C[C@@H]5C[C@H]4CN5C6=CN=C(C=C6)OC

DOS

IR

Vibrations