Geometry & MOs

Info

ID:	371816
PubChem CID:	131272728
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	345.91606
ΔH_f, kcal/mol:	-9.55
Dipole, Da:	1.81
IP(EA), eV:	-8.9(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-formyl-5-iodo-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)C2(CCCC2)N

DOS

IR

Vibrations