Geometry & MOs

Info

ID:	261883
PubChem CID:	103256810
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	305.063426
ΔH_f, kcal/mol:	-50.11
Dipole, Da:	5.42
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[[(1-methylpyrazol-3-yl)amino]methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)O)NC2=NN(C=C2)C

DOS

IR

Vibrations