Geometry & MOs

Info

ID:	444021
PubChem CID:	135261051
Reduced:	FO3N5C25H28 (1)
Stoich.:	AB3C5D25E28 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-83.59
Dipole, Da:	2.3
IP(EA), eV:	-8.52(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethylamino)-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)C[C@@H](C(=O)N4CCN(CC4)C(=O)C5CC5)N)F

DOS

IR

Vibrations