Geometry & MOs

Info

ID:	377001
PubChem CID:	134223036
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	1.82
IP(EA), eV:	-9.11(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(CO[C@@H](C2N)C(C)C)C=C1

DOS

IR

Vibrations