Geometry & MOs

Info

ID:	372062
PubChem CID:	131292738
Reduced:	BrNO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	235.0667
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	1.17
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-6,7-dimethyl-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(C1=O)C=CC(=C2Br)O)N

DOS

IR

Vibrations