Geometry & MOs

Info

ID:	264340
PubChem CID:	103455384
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	222.105608
ΔH_f, kcal/mol:	-44.08
Dipole, Da:	4.49
IP(EA), eV:	-9.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-2-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C1=CC2=C(C=C1)N=CC=C2)O

DOS

IR

Vibrations