Geometry & MOs

Info

ID:	71737
PubChem CID:	48415292
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	59.3
Dipole, Da:	4.4
IP(EA), eV:	-8.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethoxy]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)N3C=CC=C3

DOS

IR

Vibrations