Geometry & MOs

Info

ID:	441628
PubChem CID:	135238016
Reduced:	N4O4H30C31 (1)
Stoich.:	A4B4C30D31 (1)
Weight, g/mol:	443.159354
ΔH_f, kcal/mol:	-53.15
Dipole, Da:	2.12
IP(EA), eV:	-8.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(2-methoxypyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-(oxetan-3-yloxy)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(N1C=C(C2=C1N=CC(=C2)C3=CC(=CC(=C3)OC)NC(=O)C=C)C4=CC=CC(=C4)C#N)OC(=O)C(C)(C)C

DOS

IR

Vibrations