Geometry & MOs

Info

ID:	30215
PubChem CID:	840769
Reduced:	ClFN2O4H10C14 (1)
Stoich.:	ABC2D4E10F14 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-89.58
Dipole, Da:	10.11
IP(EA), eV:	-9.48(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-2-yl] acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

DOS

IR

Vibrations