Geometry & MOs

Info

ID:	374969
PubChem CID:	131408288
Reduced:	INO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	225.080121
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	3.28
IP(EA), eV:	-9.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromene-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C2C(=C1)[C@H](CCO2)N)I

DOS

IR

Vibrations