Geometry & MOs

Info

ID:	376992
PubChem CID:	134223027
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-36.15
Dipole, Da:	2.75
IP(EA), eV:	-9.44(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations