Geometry & MOs

Info

ID:	320529
PubChem CID:	126661590
Reduced:	FOSN6C20H23 (1)
Stoich.:	ABCD6E20F23 (1)
Weight, g/mol:	340.143645
ΔH_f, kcal/mol:	12.28
Dipole, Da:	7.07
IP(EA), eV:	-8.52(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(prop-1-en-2-ylamino)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C=CC=C2F)NC(=O)C3=CSC(=N3)C4=CNN=C4)NC

DOS

IR

Vibrations