Geometry & MOs

Info

ID:	332317
PubChem CID:	127250603
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	432.207388
ΔH_f, kcal/mol:	25.11
Dipole, Da:	3.32
IP(EA), eV:	-7.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[(1-ethyl-6-fluoroindol-3-yl)methyl]morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C)C=CC(=C2)OC)CN3CCOC(C3)C4=CC=CC(=N4)C5=CN=C(N=C5)N

DOS

IR

Vibrations