Geometry & MOs

Info

ID:	441620
PubChem CID:	135237635
Reduced:	FO3N5C29H30 (1)
Stoich.:	AB3C5D29E30 (1)
Weight, g/mol:	443.212139
ΔH_f, kcal/mol:	-78.17
Dipole, Da:	5.63
IP(EA), eV:	-9.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations