Geometry & MOs

Info

ID:	443955
PubChem CID:	135260793
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	532.258674
ΔH_f, kcal/mol:	18.77
Dipole, Da:	3.06
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-3-[4-[(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=C(C=C2)OC3=C4C=CNC4=NC=C3)N

DOS

IR

Vibrations