Geometry & MOs

Info

ID:	347880
PubChem CID:	127272942
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	20.83
Dipole, Da:	3.14
IP(EA), eV:	-9.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpiperidin-1-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2C(C1)C3CC2CC3NC(=O)C4=CC=C(C=C4)CSC5=NC=NN5

DOS

IR

Vibrations