Geometry & MOs

Info

ID:	246150
PubChem CID:	103047012
Reduced:	ClFNO2H11C16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	357.97715
ΔH_f, kcal/mol:	-73.18
Dipole, Da:	7.67
IP(EA), eV:	-9.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-2-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2CC3=C(C=CC(=C3)Cl)F)C=C1C(=O)O

DOS

IR

Vibrations