Geometry & MOs

Info

ID:	377016
PubChem CID:	134223051
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	24.74
Dipole, Da:	1.51
IP(EA), eV:	-9.2(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCN[C@@H]1COCC2=CC=CC=C12

DOS

IR

Vibrations