Geometry & MOs

Info

ID:	413119
PubChem CID:	135086063
Reduced:	FOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	338.151809
ΔH_f, kcal/mol:	-32.68
Dipole, Da:	4.1
IP(EA), eV:	-9.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1C(CC(=O)C=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations