Geometry & MOs

Info

ID:	443949
PubChem CID:	135260721
Reduced:	FO2N5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-45.19
Dipole, Da:	4.23
IP(EA), eV:	-8.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CC(C4)CN(C)C)N)F

DOS

IR

Vibrations