Geometry & MOs

Info

ID:	377089
PubChem CID:	134223127
Reduced:	FNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	1.52
IP(EA), eV:	-9.63(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations