Geometry & MOs

Info

ID:	441630
PubChem CID:	135238018
Reduced:	ON5H19C24 (1)
Stoich.:	AB5C19D24 (1)
Weight, g/mol:	516.228517
ΔH_f, kcal/mol:	107.1
Dipole, Da:	4.93
IP(EA), eV:	-9.25(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[5-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]pyridin-3-yl]-3-(2-fluoropyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl acetate

Drug info:

PubChemData

Smile

C/C=C/C(=O)N(C)C1=CN=CC(=C1)C2=CC3=C(NC=C3C4=CC=CC(=C4)C#N)N=C2

DOS

IR

Vibrations