Geometry & MOs

Info

ID:	230706
PubChem CID:	87571699
Reduced:	F2N2O8C21H28 (1)
Stoich.:	A2B2C8D21E28 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-400.72
Dipole, Da:	4.1
IP(EA), eV:	-8.85(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyl 2-amino-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)O[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CC3=C(C(=C(C=C3)OC)F)F

DOS

IR

Vibrations