Geometry & MOs

Info

ID:	27533
PubChem CID:	821859
Reduced:	NSC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	225.94518
ΔH_f, kcal/mol:	39.14
Dipole, Da:	1.27
IP(EA), eV:	-8.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)CN(C)C)C2=CC=CC=C2

DOS

IR

Vibrations