Geometry & MOs

Info

ID:	376961
PubChem CID:	134222996
Reduced:	NOCl2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-33.69
Dipole, Da:	0.92
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-8-chloro-N-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CN[C@H]1COCC2=C1C(=C(C=C2)Cl)Cl

DOS

IR

Vibrations