Geometry & MOs

Info

ID:	332677
PubChem CID:	127250963
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	4.4
IP(EA), eV:	-9.25(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)C(=O)C4CCCC4

DOS

IR

Vibrations