Geometry & MOs

Info

ID:	218958
PubChem CID:	85090252
Reduced:	BrF2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	228.096186
ΔH_f, kcal/mol:	-55.92
Dipole, Da:	1.68
IP(EA), eV:	-9.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(difluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(F)F

DOS

IR

Vibrations