Geometry & MOs

Info

ID:	365321
PubChem CID:	127317705
Reduced:	N6C13H22 (1)
Stoich.:	A6B13C22 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	99.15
Dipole, Da:	7.06
IP(EA), eV:	-8.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-(4-cyclobutylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)CC3=NN=NN3C4CC4

DOS

IR

Vibrations