Geometry & MOs

Info

ID:	377011
PubChem CID:	134223046
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-38.44
Dipole, Da:	1.49
IP(EA), eV:	-8.87(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-methyl-N-propyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CCCNC1[C@H](OCC2=CC=CC=C12)C

DOS

IR

Vibrations