Geometry & MOs

Info

ID:	443950
PubChem CID:	135260723
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	441.217618
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	1.65
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)[C@H](CC2=CC=C(C=C2)OC3=C4C=CNC4=NC=C3)N

DOS

IR

Vibrations