Geometry & MOs

Info

ID:	332040
PubChem CID:	127250326
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-1.48
Dipole, Da:	5.23
IP(EA), eV:	-8.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[5-(1H-pyrazol-5-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations