Geometry & MOs

Info

ID:	413142
PubChem CID:	135086086
Reduced:	OC17H24 (1)
Stoich.:	AB17C24 (1)
Weight, g/mol:	244.182715
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	2.76
IP(EA), eV:	-9.7(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-methylphenyl)dec-2-en-4-one

Drug info:

PubChemData

Smile

CCCCCCC(=O)/C=C(\CC)/C1=CC=CC=C1

DOS

IR

Vibrations