Geometry & MOs

Info

ID:	377033
PubChem CID:	134223068
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	2.54
IP(EA), eV:	-9.04(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-methyl-N-prop-2-ynyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CCCN[C@H]1[C@H](OCC2=CC=CC=C12)C

DOS

IR

Vibrations