Geometry & MOs

Info

ID:	264264
PubChem CID:	103447413
Reduced:	ON3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	19.67
Dipole, Da:	3.34
IP(EA), eV:	-10.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(2,6-dimethoxyphenyl)-2-ethylbut-2-en-1-one

Drug info:

PubChemData

Smile

CCC(=CC)C(=O)C1=CN=NN1C

DOS

IR

Vibrations