Geometry & MOs

Info

ID:	331683
PubChem CID:	127249766
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	448.191069
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	3.98
IP(EA), eV:	-8.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC(=C2)CN3CCOC(C3)C4=NC(=CC=C4)NC5=CC=CC=N5

DOS

IR

Vibrations