Geometry & MOs

Info

ID:	259425
PubChem CID:	103165644
Reduced:	ClSC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	272.100164
ΔH_f, kcal/mol:	-14.8
Dipole, Da:	2.19
IP(EA), eV:	-9.0(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,5-dimethylthiophene

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(CC2CCC2)Cl

DOS

IR

Vibrations