Geometry & MOs

Info

ID:	277531
PubChem CID:	103829248
Reduced:	FON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-32.12
Dipole, Da:	5.56
IP(EA), eV:	-9.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-cyanopyridin-4-yl)methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1=O)CC2=CC(=C(C=C2)F)C#N

DOS

IR

Vibrations