Geometry & MOs

Info

ID:	376935
PubChem CID:	134222968
Reduced:	NOCl2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	2.87
IP(EA), eV:	-9.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-7-chloro-3-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(CO1)C=CC(=C2Cl)Cl)N

DOS

IR

Vibrations