Geometry & MOs

Info

ID:	377075
PubChem CID:	134223113
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	3.43
IP(EA), eV:	-9.15(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-6-fluoro-1-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C2=C(C=CC(=C2)C)[C@@H](CO1)N

DOS

IR

Vibrations