Geometry & MOs

Info

ID:	162729
PubChem CID:	57551968
Reduced:	ClNO3C10H18 (1)
Stoich.:	ABC3D10E18 (1)
Weight, g/mol:	196.053572
ΔH_f, kcal/mol:	-169.77
Dipole, Da:	4.52
IP(EA), eV:	-9.55(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-acetyl-3-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)N1C[C@H](C2C1C(CO2)(O)O)Cl

DOS

IR

Vibrations