Geometry & MOs

Info

ID:	376991
PubChem CID:	134223026
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-14.75
Dipole, Da:	3.28
IP(EA), eV:	-9.17(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C3=C2C4=C(COC[C@@H]4N)C=C3

DOS

IR

Vibrations