Geometry & MOs

Info

ID:	245856
PubChem CID:	103024635
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	226.102751
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	2.04
IP(EA), eV:	-9.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-one

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)C1=CN=CC=C1)OC

DOS

IR

Vibrations