Geometry & MOs

Info

ID:	48998
PubChem CID:	11528598
Reduced:	SO2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	213.078979
ΔH_f, kcal/mol:	-78.58
Dipole, Da:	1.26
IP(EA), eV:	-9.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-methyl-4-oxo-2,3-dihydropyran-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(C1=O)(C)CCCC=C)O

DOS

IR

Vibrations