Geometry & MOs

Info

ID:	332226
PubChem CID:	127250512
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	6.07
IP(EA), eV:	-7.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC(=C2)CN3CCOC(C3)C4=CC=CC(=N4)C5=CN=CN=C5

DOS

IR

Vibrations