Geometry & MOs

Info

ID:	261509
PubChem CID:	103237084
Reduced:	F2O2N3C10H13 (1)
Stoich.:	A2B2C3D10E13 (1)
Weight, g/mol:	303.1293
ΔH_f, kcal/mol:	-167.94
Dipole, Da:	4.51
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(cycloheptylamino)methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC(C(=O)N)N)OC(F)F

DOS

IR

Vibrations