Geometry & MOs

Info

ID:	377010
PubChem CID:	134223045
Reduced:	NOF2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-122.31
Dipole, Da:	2.32
IP(EA), eV:	-9.69(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-N-propyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C([C@H](O1)C(F)F)N

DOS

IR

Vibrations