Geometry & MOs

Info

ID:	261906
PubChem CID:	103258203
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	277.077265
ΔH_f, kcal/mol:	4.23
Dipole, Da:	6.55
IP(EA), eV:	-9.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)NCCN2C=C(N=N2)C(=O)O

DOS

IR

Vibrations