Geometry & MOs

Info

ID:	443963
PubChem CID:	135260821
Reduced:	FO2N6H27C28 (1)
Stoich.:	AB2C6D27E28 (1)
Weight, g/mol:	515.233268
ΔH_f, kcal/mol:	11.02
Dipole, Da:	1.5
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-[4-(2-phenylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC(=C(C=C3)OC4=C5C(=CNC5=NC=C4)C#N)F)N

DOS

IR

Vibrations