Geometry & MOs

Info

ID:	293263
PubChem CID:	117379601
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	250.102751
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	1.62
IP(EA), eV:	-8.0(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-5-(thian-4-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CNCCC1=C(C=CC(=C1)N2CCOCC2)OC

DOS

IR

Vibrations