Geometry & MOs

Info

ID:	443961
PubChem CID:	135260813
Reduced:	FO2N6C23H23 (1)
Stoich.:	AB2C6D23E23 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	0.93
Dipole, Da:	2.87
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-cyclohexyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC3=CC(=C(C=C3)OC4=C5C(=CNC5=NC=C4)C#N)F)N

DOS

IR

Vibrations