Geometry & MOs

Info

ID:	365324
PubChem CID:	127317718
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	3.09
IP(EA), eV:	-8.33(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations