Geometry & MOs

Info

ID:	71253
PubChem CID:	48414524
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	29.21
Dipole, Da:	6.4
IP(EA), eV:	-8.71(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-3-methylideneisoindol-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations