Geometry & MOs

Info

ID:	413598
PubChem CID:	135086547
Reduced:	FO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-26.36
Dipole, Da:	1.62
IP(EA), eV:	-10.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methoxyphenyl)-2-methylidene-3-oxobutyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC1(C2=CC=C(C=C2)F)N=[N+]=[N-]

DOS

IR

Vibrations