Geometry & MOs

Info

ID:	362939
PubChem CID:	127309945
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-121.4
Dipole, Da:	3.33
IP(EA), eV:	-8.78(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NCC3=CC(=CC=C3)COC4CCOCC4

DOS

IR

Vibrations