Geometry & MOs

Info

ID:	372257
PubChem CID:	131294745
Reduced:	BrF2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	395.82251
ΔH_f, kcal/mol:	-165.52
Dipole, Da:	2.95
IP(EA), eV:	-9.17(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-(chloromethyl)-1-(difluoromethoxy)-4-iodobenzene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC)Br)OC(F)F

DOS

IR

Vibrations