Geometry & MOs

Info

ID:	294550
PubChem CID:	117469903
Reduced:	BrF2N2O2H5C9 (1)
Stoich.:	AB2C2D2E5F9 (1)
Weight, g/mol:	289.9754
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	8.24
IP(EA), eV:	-8.74(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=O)/C(=C/2\C=C(ON2)N)/C(=C1Br)F)F

DOS

IR

Vibrations