Geometry & MOs

Info

ID:	194679
PubChem CID:	78574732
Reduced:	BrFO2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	382.00161
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	4.91
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-bromo-2-(difluoromethoxy)phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations