Geometry & MOs

Info

ID:	198378
PubChem CID:	79092188
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	248.107339
ΔH_f, kcal/mol:	-138.73
Dipole, Da:	5.11
IP(EA), eV:	-9.02(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(4-fluorophenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCN1CCN2C(C1)CNC2=O

DOS

IR

Vibrations