Geometry & MOs

Info

ID:	377067
PubChem CID:	134223103
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	2.79
IP(EA), eV:	-9.13(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(CO[C@H]([C@H]2N)C(C)C)C=C1

DOS

IR

Vibrations