Geometry & MOs

Info

ID:	443975
PubChem CID:	135260888
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	445.191403
ΔH_f, kcal/mol:	-28.77
Dipole, Da:	2.99
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-fluoro-4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CNC2=C1C(=NC=N2)OC3=C(C=C(C=C3)C[C@@H](C(=O)N4CCC5=CC=CC=C5C4)N)F

DOS

IR

Vibrations