Geometry & MOs

Info

ID:	361127
PubChem CID:	127302043
Reduced:	FON2C10H14 (2)
Stoich.:	ABC2D10E14 (2)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-166.32
Dipole, Da:	6.45
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F)C

DOS

IR

Vibrations