Geometry & MOs

Info

ID:	332242
PubChem CID:	127250528
Reduced:	O4N5H23C24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	444.179755
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	3.69
IP(EA), eV:	-8.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(6-aminopyridin-3-yl)pyridin-2-yl]morpholin-4-yl]-(6-methoxy-2H-chromen-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC(=C2)C(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CN=C(N=C5)N

DOS

IR

Vibrations