Geometry & MOs

Info

ID:	79316
PubChem CID:	49748011
Reduced:	FOSN3C19H24 (1)
Stoich.:	ABCD3E19F24 (1)
Weight, g/mol:	398.175419
ΔH_f, kcal/mol:	-44.76
Dipole, Da:	1.65
IP(EA), eV:	-8.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)NCC(C2=CC=C(C=C2)F)N3CCN(CC3)C

DOS

IR

Vibrations