Geometry & MOs

Info

ID:	48244
PubChem CID:	10538197
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-67.57
Dipole, Da:	6.44
IP(EA), eV:	-8.55(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-phenylpiperazin-1-yl)pentanenitrile

Drug info:

PubChemData

Smile

CN1C2=C(C(CCCC2)C(=O)O)C3=CC=CC=C31

DOS

IR

Vibrations