Geometry & MOs

Info

ID:	376954
PubChem CID:	134222988
Reduced:	NOCl2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	217.006119
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	2.2
IP(EA), eV:	-9.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5,6-dichloro-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(CO1)C=CC(=C2Cl)Cl)N

DOS

IR

Vibrations