Geometry & MOs

Info

ID:	175372
PubChem CID:	75890964
Reduced:	FNOH10C16 (1)
Stoich.:	ABCD10E16 (1)
Weight, g/mol:	316.086622
ΔH_f, kcal/mol:	15.8
Dipole, Da:	3.07
IP(EA), eV:	-9.91(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC(=C2)C#N)F

DOS

IR

Vibrations