Geometry & MOs

Info

ID:	376944
PubChem CID:	134222978
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-30.05
Dipole, Da:	4.09
IP(EA), eV:	-9.39(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-6-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)Cl)N

DOS

IR

Vibrations