Geometry & MOs

Info

ID:	279278
PubChem CID:	103842771
Reduced:	BrF2N2O2C11H11 (1)
Stoich.:	AB2C2D2E11F11 (1)
Weight, g/mol:	275.95527
ΔH_f, kcal/mol:	-147.43
Dipole, Da:	3.98
IP(EA), eV:	-9.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-bromo-4-chlorobenzoate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)NC2=CC(=C(C=C2F)Br)F

DOS

IR

Vibrations