Geometry & MOs

Info

ID:	71649
PubChem CID:	48415156
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	95.82
Dipole, Da:	3.75
IP(EA), eV:	-8.88(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-(5-phenylfuran-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)N2CCN(CC2)CCC#C)C3=CC=CC=C3

DOS

IR

Vibrations