Geometry & MOs

Info

ID:	377008
PubChem CID:	134223043
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	4.85
IP(EA), eV:	-9.11(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)OC1=CC2=C(C=C1)[C@@H]([C@@H](OC2)C)N

DOS

IR

Vibrations