Geometry & MOs

Info

ID:	407153
PubChem CID:	135079434
Reduced:	O2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	3.7
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-(3,4-dihydro-2H-pyran-6-yl)-2-[(4-methylphenyl)methylidene]pentan-1-one

Drug info:

PubChemData

Smile

CCC/C(=C\C1=CC=CC=C1)/C(=O)C2=CCCCO2

DOS

IR

Vibrations