Geometry & MOs

Info

ID:	405878
PubChem CID:	135075816
Reduced:	ClC12H15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	241.075036
ΔH_f, kcal/mol:	-19.6
Dipole, Da:	3.08
IP(EA), eV:	-9.05(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxycarbonylamino)-4-fluoro-6-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)C=C(C=C2)Cl)C

DOS

IR

Vibrations