Geometry & MOs

Info

ID:	441634
PubChem CID:	135238159
Reduced:	ON3H8C11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	88.19
Dipole, Da:	7.62
IP(EA), eV:	-8.74(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(dimethylamino)-N-[5-[3-(2-methoxypyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-yl]-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)C2=CC3=C(NC=C3C4=CC(=NC=C4)C#N)N=C2)NC(=O)C=C

DOS

IR

Vibrations