Geometry & MOs

Info

ID:	332316
PubChem CID:	127250602
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	27.82
Dipole, Da:	3.39
IP(EA), eV:	-7.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[(5-methoxy-1,2-dimethylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCN1C=C(C2=C1C=CC(=C2)OC)CN3CCOC(C3)C4=CC=CC(=N4)C5=CN=C(N=C5)N

DOS

IR

Vibrations