Geometry & MOs

Info

ID:	374063
PubChem CID:	131323211
Reduced:	FISO2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-96.55
Dipole, Da:	5.08
IP(EA), eV:	-9.2(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylthiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=C(C(=C(C=C1)I)CC(=O)O)F

DOS

IR

Vibrations