Geometry & MOs

Info

ID:	151181
PubChem CID:	53790881
Reduced:	SN2O3C23H38 (1)
Stoich.:	AB2C3D23E38 (1)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-155.27
Dipole, Da:	4.12
IP(EA), eV:	-9.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-hydroxyphenyl)prop-2-enoyl]cyclopentane-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NC1=NC(=CS1)CC(=O)O

DOS

IR

Vibrations