Geometry & MOs

Info

ID:	406054
PubChem CID:	135076382
Reduced:	NC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	232.059172
ΔH_f, kcal/mol:	56.59
Dipole, Da:	0.68
IP(EA), eV:	-8.44(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethoxyethylsulfanyl)-2,5-dimethylthiophene

Drug info:

PubChemData

Smile

CC#CCCCCNCC1=CNC2=CC=CC=C21

DOS

IR

Vibrations