Geometry & MOs

Info

ID:	377091
PubChem CID:	134223129
Reduced:	FNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	195.105942
ΔH_f, kcal/mol:	-75.38
Dipole, Da:	1.86
IP(EA), eV:	-9.64(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations