Geometry & MOs

Info

ID:	365274
PubChem CID:	127317619
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	307.225977
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	1.1
IP(EA), eV:	-8.83(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations