Geometry & MOs

Info

ID:	413144
PubChem CID:	135086088
Reduced:	OH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-23.08
Dipole, Da:	4.75
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/2\CCC(=O)C3=CC=CC=C23

DOS

IR

Vibrations