Geometry & MOs

Info

ID:	361506
PubChem CID:	127303696
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-121.56
Dipole, Da:	6.91
IP(EA), eV:	-9.12(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylidenepiperidin-1-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations