Geometry & MOs

Info

ID:	332683
PubChem CID:	127250969
Reduced:	SO3N6C18H20 (1)
Stoich.:	AB3C6D18E20 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	2.13
Dipole, Da:	5.73
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)C(=O)CC4=CSC(=N4)C

DOS

IR

Vibrations