Geometry & MOs

Info

ID:	443973
PubChem CID:	135260857
Reduced:	O2N6C31H34 (1)
Stoich.:	A2B6C31D34 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	38.9
Dipole, Da:	2.23
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclohexylamino)-1-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propan-2-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)OC4=C5C(=CNC5=NC=C4)C6=CCNC6)N

DOS

IR

Vibrations