Geometry & MOs

Info

ID:	356591
PubChem CID:	127291817
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-63.54
Dipole, Da:	4.53
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxan-2-yl-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CC(CC1=O)C(=O)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations