Geometry & MOs

Info

ID:	376964
PubChem CID:	134222999
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	2.04
IP(EA), eV:	-8.98(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations