Geometry & MOs

Info

ID:	206467
PubChem CID:	80255612
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	3.23
IP(EA), eV:	-8.58(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopentylcarbamoyl)piperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)N2CCC3=C(C2)C=CC=C3N

DOS

IR

Vibrations