Geometry & MOs

Info

ID:	365395
PubChem CID:	127317794
Reduced:	ON5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	302.154289
ΔH_f, kcal/mol:	-36.19
Dipole, Da:	5.72
IP(EA), eV:	-8.76(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4-fluorophenyl)-4-cyclobutylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)N2CCN(CC2)C3CCC3)C(C)(C)C

DOS

IR

Vibrations