Geometry & MOs

Info

ID:	441373
PubChem CID:	135234385
Reduced:	ON5H15C19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	505.233857
ΔH_f, kcal/mol:	103.84
Dipole, Da:	3.82
IP(EA), eV:	-8.5(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[[5-[(3Z)-3-(7-pyridin-4-ylimidazo[4,5-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)C3=C(N=C(N=N3)N)C4=CC=CC=C4)C=CC=N2

DOS

IR

Vibrations