Geometry & MOs

Info

ID:	376941
PubChem CID:	134222974
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-76.63
Dipole, Da:	3.98
IP(EA), eV:	-8.72(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(CO1)C=CC(=C2C)OC)N

DOS

IR

Vibrations