Geometry & MOs

Info

ID:	425739
PubChem CID:	135127699
Reduced:	FON3C12H14 (2)
Stoich.:	ABC3D12E14 (2)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-21.58
Dipole, Da:	5.35
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(4-aminopiperazin-1-yl)phenyl]-4,4-dimethylpent-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=CN(N=N2)CC(CN3C=NCN3C)(C4=C(C=C(C=CC4)F)F)O

DOS

IR

Vibrations