Geometry & MOs

Info

ID:	375200
PubChem CID:	131472836
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	283.95066
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	0.84
IP(EA), eV:	-8.71(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-1-benzothiophen-2-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2[C@@H](CCCC2=C(C=C1)O)N

DOS

IR

Vibrations