Geometry & MOs

Info

ID:	129648
PubChem CID:	51073457
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	317.153955
ΔH_f, kcal/mol:	-5.84
Dipole, Da:	4.66
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCCN1C(=O)C=CC(=N1)C(=O)NCC2=NC3=CC=CC=C3N2C

DOS

IR

Vibrations