Geometry & MOs

Info

ID:	444006
PubChem CID:	135260977
Reduced:	FO3N5C29H32 (1)
Stoich.:	AB3C5D29E32 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-71.76
Dipole, Da:	6.93
IP(EA), eV:	-8.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohexyl-2-(dimethylamino)-3-[4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CCN(CC4)CC5=CC=C(C=C5)OC)N)F

DOS

IR

Vibrations