Geometry & MOs

Info

ID:	181002
PubChem CID:	76714569
Reduced:	ClNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-93.02
Dipole, Da:	2.28
IP(EA), eV:	-9.31(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-5-(5-oxooxolan-2-yl)pentanal

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC=CC(=O)NCCCC(=O)CO)Cl

DOS

IR

Vibrations