Geometry & MOs

Info

ID:	71443
PubChem CID:	48414875
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	68.32
Dipole, Da:	3.19
IP(EA), eV:	-8.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-but-3-ynylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CCC#C)C4=CC=CC=C4

DOS

IR

Vibrations