Geometry & MOs

Info

ID:	282810
PubChem CID:	103940196
Reduced:	FNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	4.26
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1C(C1NC(=O)C2=C(C=C(C=C2)O)F)C3=CC=CC=C3

DOS

IR

Vibrations