Geometry & MOs

Info

ID:	294256
PubChem CID:	117443580
Reduced:	BrFO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	277.072591
ΔH_f, kcal/mol:	-138.9
Dipole, Da:	2.89
IP(EA), eV:	-9.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1-aminocyclopropyl)methyl]-2,3,5,6-tetrafluorobenzoate

Drug info:

PubChemData

Smile

CC(CO)C1=C(C=C2C(=C1Br)OCO2)F

DOS

IR

Vibrations