Geometry & MOs

Info

ID:	314002
PubChem CID:	126619468
Reduced:	O2N3C36H51 (1)
Stoich.:	A2B3C36D51 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	-81.84
Dipole, Da:	3.08
IP(EA), eV:	-8.6(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CCCCC(CCC1)C2C(C3=CC=CC=C3N2)C4=C(C(=O)NC4=O)C5CNC6(C5CCCC6)C7CCCCCC7

DOS

IR

Vibrations