Geometry & MOs

Info

ID:	71723
PubChem CID:	48415262
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-47.43
Dipole, Da:	4.18
IP(EA), eV:	-8.89(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CN2CCCCCCC2=O

DOS

IR

Vibrations