Geometry & MOs

Info

ID:	376953
PubChem CID:	134222987
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	217.006119
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	3.4
IP(EA), eV:	-9.13(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2COC[C@H](C2=C1)N)C

DOS

IR

Vibrations