Geometry & MOs

Info

ID:	361554
PubChem CID:	127303746
Reduced:	O3N5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	350.195405
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	2.38
IP(EA), eV:	-8.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)COC3=CN=CC=C3

DOS

IR

Vibrations