Geometry & MOs

Info

ID:	21000
PubChem CID:	586694
Reduced:	FON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	290.154289
ΔH_f, kcal/mol:	-34.17
Dipole, Da:	3.6
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethyl)piperazin-1-yl]-N-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)F)CC#N

DOS

IR

Vibrations