Geometry & MOs

Info

ID:	448419
PubChem CID:	135290766
Reduced:	NF3O4C8H12 (1)
Stoich.:	AB3C4D8E12 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-350.63
Dipole, Da:	7.2
IP(EA), eV:	-10.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethynylpyridin-2-yl)-4-(oxetan-3-yl)piperazine

Drug info:

PubChemData

Smile

CC(C)([C@@H](C(=O)O)NC(=O)OC)C(F)(F)F

DOS

IR

Vibrations