Geometry & MOs

Info

ID:	443257
PubChem CID:	135258300
Reduced:	INC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	415.180839
ΔH_f, kcal/mol:	9.12
Dipole, Da:	4.83
IP(EA), eV:	-8.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(N1CCCCC1CC2=CC=CC=C2)I

DOS

IR

Vibrations