Geometry & MOs

Info

ID:	374266
PubChem CID:	131325982
Reduced:	N3C10H11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	257.993985
ΔH_f, kcal/mol:	47.3
Dipole, Da:	3.14
IP(EA), eV:	-8.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-3-methoxy-4-methylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC(=CN2)N

DOS

IR

Vibrations