Geometry & MOs

Info

ID:	314087
PubChem CID:	126620369
Reduced:	NO7C18H19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	350.112979
ΔH_f, kcal/mol:	-162.69
Dipole, Da:	7.91
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,4-dimethoxyphenyl)-3-[3-methyl-4-(trifluoromethyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C(CC(=O)C1=CC=C(C=C1)OC)C2=CC=CO2)[N+](=O)[O-]

DOS

IR

Vibrations