Geometry & MOs

Info

ID:	444032
PubChem CID:	135261087
Reduced:	FN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	441.217618
ΔH_f, kcal/mol:	-226.13
Dipole, Da:	1.23
IP(EA), eV:	-9.39(-0.49)
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-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C(CC2=CC(=C(C=C2)O)F)NC(=O)O

DOS

IR

Vibrations