Geometry & MOs

Info

ID:	283668
PubChem CID:	103997126
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	350.95648
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	4.29
IP(EA), eV:	-9.53(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophene-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1C2=C(CN1C(=O)CCN3C=CN=C3)C=C(C=C2)C(=O)O

DOS

IR

Vibrations