Geometry & MOs

Info

ID:	131313
PubChem CID:	51189129
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	63.5
Dipole, Da:	1.56
IP(EA), eV:	-8.68(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)phenyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations