Geometry & MOs

Info

ID:	249607
PubChem CID:	103090795
Reduced:	ClON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	224.060407
ΔH_f, kcal/mol:	15.69
Dipole, Da:	1.73
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(2-chloro-6-methoxyphenyl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=C(N=C2N1C=CC=C2)Cl)/C(=O)C

DOS

IR

Vibrations