Geometry & MOs

Info

ID:	332041
PubChem CID:	127250327
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	5.04
IP(EA), eV:	-8.04(-0.77)
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-3-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC(=C2)CN3CCOC(C3)C4=NC=C(C=C4)C5=CC=NN5

DOS

IR

Vibrations