Geometry & MOs

Info

ID:	443970
PubChem CID:	135260854
Reduced:	FO3N6C28H35 (1)
Stoich.:	AB3C6D28E35 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-110.13
Dipole, Da:	4.07
IP(EA), eV:	-8.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-cyclohexyl-N-methyl-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)N4CCN(CC4)C(=O)C5CCN(CC5)C)N)F

DOS

IR

Vibrations