Geometry & MOs

Info

ID:	376975
PubChem CID:	134223010
Reduced:	FO4N8C23H27 (1)
Stoich.:	AB4C8D23E27 (1)
Weight, g/mol:	195.105942
ΔH_f, kcal/mol:	-108.45
Dipole, Da:	10.44
IP(EA), eV:	-9.22(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN(C1C(NC2CNCC2O)O)C(=O)CN3C4=C(C=C(C=C4)C5=CN=NC=C5)C(=N3)C(=O)N)F

DOS

IR

Vibrations