Geometry & MOs

Info

ID:	365326
PubChem CID:	127317720
Reduced:	N6C13H24 (1)
Stoich.:	A6B13C24 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	64.15
Dipole, Da:	7.43
IP(EA), eV:	-8.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-(4-cyclobutylpiperazin-1-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)CN2CCN(CC2)C3CCC3

DOS

IR

Vibrations