Geometry & MOs

Info

ID:	83640
PubChem CID:	49859517
Reduced:	NO5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	304.105922
ΔH_f, kcal/mol:	-177.52
Dipole, Da:	2.11
IP(EA), eV:	-9.04(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-hydroxypyran-4-one

Drug info:

PubChemData

Smile

C[C@H](C=CCC(=O)OC)[C@@H](C1=CC(=CC=C1)OC)NC(=O)OCC=C

DOS

IR

Vibrations