Geometry & MOs

Info

ID:	441432
PubChem CID:	135234667
Reduced:	FO2N5H24C26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	249.220498
ΔH_f, kcal/mol:	-0.49
Dipole, Da:	2.73
IP(EA), eV:	-8.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1E)-2-methylbuta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)butan-1-imine

Drug info:

PubChemData

Smile

C=CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)OCC5=CC=C(C=C5)F

DOS

IR

Vibrations