Geometry & MOs

Info

ID:

379502

PubChem CID:

134436933

Reduced:

O2N7C28H29 (1)

Stoich.:

A2B7C28D29 (1)

Weight, g/mol:

541.243753

ΔHf, kcal/mol:

67.59

Dipole, Da:

5.3

IP(EA), eV:

 -8.76(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=CN4C3=C(C=N4)C#N)OCC5=CN=CC=C5

DOS

IR

Vibrations