Geometry & MOs

Info

ID:	372122
PubChem CID:	131293468
Reduced:	BrFNO3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	333.86388
ΔH_f, kcal/mol:	-149.17
Dipole, Da:	2.96
IP(EA), eV:	-9.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(bromomethyl)-5-(difluoromethoxy)-2-fluorobenzene

Drug info:

PubChemData

Smile

COC(=O)C(C1=C(C=CC(=C1O)Br)F)N

DOS

IR

Vibrations