Geometry & MOs

Info

ID:	194680
PubChem CID:	78574733
Reduced:	BrF2O3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	340.167459
ΔH_f, kcal/mol:	-151.82
Dipole, Da:	5.62
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)C=CC2=C(C=CC(=C2)Br)OC(F)F

DOS

IR

Vibrations