Geometry & MOs

Info

ID:	377085
PubChem CID:	134223123
Reduced:	NF2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-237.31
Dipole, Da:	3.88
IP(EA), eV:	-9.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(fluoromethyl)-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1C(OCC2=CC=CC=C12)C(F)F

DOS

IR

Vibrations