Geometry & MOs

Info

ID:	272625
PubChem CID:	103750283
Reduced:	OSN4C9H10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	352.01104
ΔH_f, kcal/mol:	32.04
Dipole, Da:	5.45
IP(EA), eV:	-9.09(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCC1=C(NN=C1)NC(=O)C2=CN=CS2

DOS

IR

Vibrations