Geometry & MOs

Info

ID:	410741
PubChem CID:	135083542
Reduced:	O2N3C4H5 (1)
Stoich.:	A2B3C4D5 (1)
Weight, g/mol:	259.204848
ΔH_f, kcal/mol:	19.42
Dipole, Da:	1.54
IP(EA), eV:	-10.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-but-3-enylpiperazin-1-yl)ethyl]aniline

Drug info:

PubChemData

Smile

COC(=N)C1=NOC=N1

DOS

IR

Vibrations