Geometry & MOs

Info

ID:	368790
PubChem CID:	127330120
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	338.220557
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	1.97
IP(EA), eV:	-9.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=N1)NC(=O)COCC2CCOC2

DOS

IR

Vibrations