Geometry & MOs

Info

ID:	377052
PubChem CID:	134223088
Reduced:	NOF3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-191.96
Dipole, Da:	2.81
IP(EA), eV:	-9.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-5-methoxy-3-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations