Geometry & MOs

Info

ID:	377043
PubChem CID:	134223079
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-153.76
Dipole, Da:	1.88
IP(EA), eV:	-9.25(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-7-fluoro-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)NC(=O)OC(C)(C)C

DOS

IR

Vibrations