Geometry & MOs

Info

ID:	356583
PubChem CID:	127291809
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	4.43
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CC(=O)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations