Geometry & MOs

Info

ID:	308698
PubChem CID:	126522394
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	658.318001
ΔH_f, kcal/mol:	-19.43
Dipole, Da:	2.43
IP(EA), eV:	-8.03(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(3E)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2C3CCCC(C3)N

DOS

IR

Vibrations