Geometry & MOs

Info

ID:	262021
PubChem CID:	103266610
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	243.092915
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	4.83
IP(EA), eV:	-9.04(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)NCC2=CC=C(C=C2)CC(=O)O

DOS

IR

Vibrations