Geometry & MOs

Info

ID:	340934
PubChem CID:	127263369
Reduced:	N2O2C25H32 (1)
Stoich.:	A2B2C25D32 (1)
Weight, g/mol:	231.95352
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	2.16
IP(EA), eV:	-9.02(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-fluoro-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC(C2C1)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations