Geometry & MOs

Info

ID:	190492
PubChem CID:	78011660
Reduced:	OC15H28 (1)
Stoich.:	AB15C28 (1)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	-88.93
Dipole, Da:	2.31
IP(EA), eV:	-9.49(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-[5-[hydroxy(pyridin-2-yl)methyl]-2,3-dihydrothiophen-2-yl]-6-methyl-3H-pyridin-2-one

Drug info:

PubChemData

Smile

CCCCC1CC(OC1CC)C=CCCC

DOS

IR

Vibrations