Geometry & MOs

Info

ID:	441633
PubChem CID:	135238101
Reduced:	O3N5H19C25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	396.133474
ΔH_f, kcal/mol:	23.48
Dipole, Da:	5.23
IP(EA), eV:	-8.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCN1C=C(C2=C1N=CC(=C2)C3=CC(=CN=C3)NC(=O)C=C)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations