Geometry & MOs

Info

ID:	332688
PubChem CID:	127250974
Reduced:	FO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	13.55
Dipole, Da:	5.57
IP(EA), eV:	-8.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxy-2,3,6-trimethylphenyl)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)CC4=CN(C5=C4C=CC(=C5)F)CC

DOS

IR

Vibrations