Geometry & MOs

Info

ID:	367098
PubChem CID:	127323151
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-79.74
Dipole, Da:	4.24
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-2-(4-cyclobutylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations