Geometry & MOs

Info

ID:	379519
PubChem CID:	134439221
Reduced:	ClN2O2F3C24H26 (1)
Stoich.:	AB2C2D3E24F26 (1)
Weight, g/mol:	219.069557
ΔH_f, kcal/mol:	-202.33
Dipole, Da:	2.28
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-amino-5-fluoronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(CC2CC3(C2)CCN(CC3)C4=NC(=C(C=C4)C=O)Cl)C(F)(F)F

DOS

IR

Vibrations