Geometry & MOs

Info

ID:	305666
PubChem CID:	124964636
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-113.89
Dipole, Da:	3.11
IP(EA), eV:	-9.27(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-4-(oxane-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@H]1C2=CC=CC=C2)C(=O)C3CCOCC3

DOS

IR

Vibrations