Geometry & MOs

Info

ID:	332664
PubChem CID:	127250950
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	34.69
Dipole, Da:	6.41
IP(EA), eV:	-8.2(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)C4=CC5=C(C=C4)N(CCC5)C

DOS

IR

Vibrations