Geometry & MOs

Info

ID:	34164
PubChem CID:	7890137
Reduced:	FO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	393.157623
ΔH_f, kcal/mol:	-134.32
Dipole, Da:	1.24
IP(EA), eV:	-9.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)OC(=O)C2=CC(=CC=C2)O

DOS

IR

Vibrations