Geometry & MOs

Info

ID:	376967
PubChem CID:	134223002
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	231.021769
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	3.16
IP(EA), eV:	-9.15(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5,6-dichloro-N-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(COC[C@@H]2N)C=C1)C

DOS

IR

Vibrations