Geometry & MOs

Info

ID:	332678
PubChem CID:	127250964
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	6.65
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(=O)N2CCOC(C2)C3=NC=NC=C3C4=NOC(=N4)C

DOS

IR

Vibrations