Geometry & MOs

Info

ID:	443952
PubChem CID:	135260747
Reduced:	FO3N7C26H28 (1)
Stoich.:	AB3C7D26E28 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-53.98
Dipole, Da:	5.01
IP(EA), eV:	-8.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohexyl-2-(methylamino)-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)C[C@@H](C(=O)N4CCN(CC4)C(=O)C5=CN(N=C5)C)N)F

DOS

IR

Vibrations