Geometry & MOs

Info

ID:	359111
PubChem CID:	127297356
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-49.52
Dipole, Da:	5.67
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclohex-2-en-1-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)CNC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations