Geometry & MOs

Info

ID:	444064
PubChem CID:	135261206
Reduced:	F2N3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-135.44
Dipole, Da:	4.05
IP(EA), eV:	-8.51(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)OC)NC2=NC=CC3=C2N(CCO3)CC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations